2-[[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[[4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoyl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[[4-[(3-methyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[4-[(N-mesyl-3-methyl-anilino)methyl]benzoyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CN=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CN=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C29H28N4O4S/c1-21-7-5-9-25(17-21)33(38(2,36)37)20-22-12-14-24(15-13-22)28(34)32-27-11-4-3-10-26(27)29(35)31-19-23-8-6-16-30-18-23/h3-18H,19-20H2,1-2H3,(H,31,35)(H,32,34)