N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylbenzyl)isonipecotamide Formula: C26H35N3O3S MolecularWeight: 469.6394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-21-6-8-22(9-7-21)20-28-18-14-23(15-19-28)26(30)27-24-10-12-25(13-11-24)33(31,32)29-16-4-2-3-5-17-29/h6-13,23H,2-5,14-20H2,1H3,(H,27,30)