4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[(3-methyl-N-methylsulfonyl-anilino)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[(N-mesyl-3-methyl-anilino)methyl]-N-(4-pyrrolidinobenzyl)benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4)S(=O)(=O)C

InChI

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