4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(3-methyl-N-methylsulfonyl-anilino)methyl]-N-[4-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(N-mesyl-3-methyl-anilino)methyl]-N-(4-piperidinosulfonylphenyl)benzamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O5S2/c1-21-7-6-8-25(19-21)30(36(2,32)33)20-22-9-11-23(12-10-22)27(31)28-24-13-15-26(16-14-24)37(34,35)29-17-4-3-5-18-29/h6-16,19H,3-5,17-18,20H2,1-2H3,(H,28,31)