4-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 4-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[methylsulfonyl(p-tolylmethyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[mesyl-(4-methylbenzyl)amino]-N-(4-pyrrolidinobenzyl)benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4)S(=O)(=O)C

InChI

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