4-[[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide Openeye Name: 4-[[(4-acetamidophenyl)sulfonyl-benzyl-amino]methyl]-N-(p-tolylmethyl)cyclohexanecarboxamide CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-acetamidophenyl)sulfonyl-benzylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-benzyl-amino]methyl]-N-(4-methylbenzyl)cyclohexanecarboxamide Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C31H37N3O4S/c1-23-8-10-25(11-9-23)20-32-31(36)28-14-12-27(13-15-28)22-34(21-26-6-4-3-5-7-26)39(37,38)30-18-16-29(17-19-30)33-24(2)35/h3-11,16-19,27-28H,12-15,20-22H2,1-2H3,(H,32,36)(H,33,35)