4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[methyl(p-tolylsulfonyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[methyl(tosyl)amino]-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C27H31N3O3S/c1-21-5-15-26(16-6-21)34(32,33)29(2)25-13-11-24(12-14-25)27(31)28-19-22-7-9-23(10-8-22)20-30-17-3-4-18-30/h5-16H,3-4,17-20H2,1-2H3,(H,28,31)