2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 2-[benzyl(tosyl)amino]-N-(4-pyrrolidinobenzyl)benzamide Formula: C32H33N3O3S MolecularWeight: 539.68772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C32H33N3O3S/c1-25-13-19-29(20-14-25)39(37,38)35(24-27-9-3-2-4-10-27)31-12-6-5-11-30(31)32(36)33-23-26-15-17-28(18-16-26)34-21-7-8-22-34/h2-6,9-20H,7-8,21-24H2,1H3,(H,33,36)