N-[4-(2-methylpropanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N3O4S/c1-18(2)25(30)27-22-8-10-23(11-9-22)28-26(31)20-13-15-29(16-14-20)34(32,33)24-12-7-19-5-3-4-6-21(19)17-24/h3-12,17-18,20H,13-16H2,1-2H3,(H,27,30)(H,28,31)