ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(phenylmethyl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(phenylmethyl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[4-[(1-benzyl-4-piperidyl)oxy]-3-chloro-phenyl]-[(E)-3-(3-carbamimidoylphenyl)allyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(phenylmethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[4-[(1-benzyl-4-piperidyl)oxy]-3-chloro-phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C32H39Cl3N4O5S MolecularWeight: 698.09986

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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)CC4=CC=CC=C4)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)CC4=CC=CC=C4)Cl.Cl.Cl

InChI

InChI=1S/C32H37ClN4O5S.2ClH/c1-2-41-31(38)23-43(39,40)37(17-7-11-24-10-6-12-26(20-24)32(34)35)27-13-14-30(29(33)21-27)42-28-15-18-36(19-16-28)22-25-8-4-3-5-9-25;;/h3-14,20-21,28H,2,15-19,22-23H2,1H3,(H3,34,35);2*1H/b11-7+;;