ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C31H42Cl3N5O5S MolecularWeight: 703.11968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCCCC4)Cl.Cl.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCCCC4)Cl.Cl.Cl

InChI

InChI=1S/C31H40ClN5O5S.2ClH/c1-2-41-30(38)22-43(39,40)37(17-7-9-23-8-6-10-24(20-23)31(33)34)25-12-13-28(27(32)21-25)42-26-14-18-36(19-15-26)29-11-4-3-5-16-35-29;;/h6-10,12-13,20-21,26H,2-5,11,14-19,22H2,1H3,(H3,33,34);2*1H/b9-7+;;