[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C31H37N3O8S2 MolecularWeight: 643.77078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C31H37N3O8S2/c1-4-5-6-24-9-13-26(14-10-24)33-43(37,38)28-19-25(11-7-22(28)2)31(36)42-21-30(35)32-27-12-8-23(3)29(20-27)44(39,40)34-15-17-41-18-16-34/h7-14,19-20,33H,4-6,15-18,21H2,1-3H3,(H,32,35)