[3-(azepan-1-ylsulfonyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C23H28N4O5S MolecularWeight: 472.55722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c28-23(25-16-14-24(15-17-25)20-8-10-21(11-9-20)27(29)30)19-6-5-7-22(18-19)33(31,32)26-12-3-1-2-4-13-26/h5-11,18H,1-4,12-17H2