ethyl 2-[[(E)-3-[4-azanylidene-5-(ethoxycarbonylamino)-6-methyl-cyclohexa-1,5-dien-1-yl]prop-2-enyl]-[3-chloranyl-4-(1-methylpiperidin-4-yl)oxy-phenyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-[4-azanylidene-5-(ethoxycarbonylamino)-6-methyl-cyclohexa-1,5-dien-1-yl]prop-2-enyl]-[3-chloranyl-4-(1-methylpiperidin-4-yl)oxy-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[3-chloro-4-[(1-methyl-4-piperidyl)oxy]phenyl]-[(E)-3-[5-(ethoxycarbonylamino)-4-imino-6-methyl-cyclohexa-1,5-dien-1-yl]allyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[3-chloro-4-[(1-methyl-4-piperidinyl)oxy]phenyl]-[(E)-3-[5-(ethoxycarbonylamino)-4-imino-6-methyl-1-cyclohexa-1,5-dienyl]prop-2-enyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]-[(E)-3-[5-(ethoxycarbonylamino)-4-imino-6-methylcyclohexa-1,5-dien-1-yl]prop-2-enyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-[5-(carbethoxyamino)-4-imino-6-methyl-cyclohexa-1,5-dien-1-yl]allyl]-[3-chloro-4-[(1-methyl-4-piperidyl)oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C29H41Cl3N4O7S MolecularWeight: 696.08244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CCC(=N)C(=C1C)NC(=O)OCC)C2=CC(=C(C=C2)OC3CCN(CC3)C)Cl.Cl.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CCC(=N)C(=C1C)NC(=O)OCC)C2=CC(=C(C=C2)OC3CCN(CC3)C)Cl.Cl.Cl

InChI

InChI=1S/C29H39ClN4O7S.2ClH/c1-5-39-27(35)19-42(37,38)34(22-10-12-26(24(30)18-22)41-23-13-16-33(4)17-14-23)15-7-8-21-9-11-25(31)28(20(21)3)32-29(36)40-6-2;;/h7-10,12,18,23,31H,5-6,11,13-17,19H2,1-4H3,(H,32,36);2*1H/b8-7+,31-25?;;