[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C31H34ClN3O8S2 MolecularWeight: 676.19996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(CC=C)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(CC=C)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C31H34ClN3O8S2/c1-4-16-35(23-9-11-24(42-3)12-10-23)45(40,41)25-14-15-28(32)27(19-25)31(37)43-21-30(36)33-29-20-26(13-8-22(29)2)44(38,39)34-17-6-5-7-18-34/h4,8-15,19-20H,1,5-7,16-18,21H2,2-3H3,(H,33,36)