1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4S/c24-19(15-28-18-7-5-17(6-8-18)23(26)27)21-13-9-16(10-14-21)20(25)22-11-3-1-2-4-12-22/h5-8,16H,1-4,9-15H2