1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N-phenyl-isonipecotamide Formula: C27H35N3O4S MolecularWeight: 497.6495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O4S/c31-26(29-20-16-23(17-21-29)27(32)28-24-8-4-3-5-9-24)15-12-22-10-13-25(14-11-22)35(33,34)30-18-6-1-2-7-19-30/h3-5,8-11,13-14,23H,1-2,6-7,12,15-21H2,(H,28,32)