4-[(2-methylphenyl)methyl-methylsulfonyl-amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[(2-methylphenyl)methyl-methylsulfonyl-amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[methylsulfonyl(o-tolylmethyl)amino]-N-[[4-(1-piperidylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[[4-(1-piperidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[mesyl-(2-methylbenzyl)amino]-N-[4-(piperidinomethyl)benzyl]benzamide Formula: C29H35N3O3S MolecularWeight: 505.6715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCCC4)S(=O)(=O)C

InChI

InChI=1S/C29H35N3O3S/c1-23-8-4-5-9-27(23)22-32(36(2,34)35)28-16-14-26(15-17-28)29(33)30-20-24-10-12-25(13-11-24)21-31-18-6-3-7-19-31/h4-5,8-17H,3,6-7,18-22H2,1-2H3,(H,30,33)