3-nitro-N-propan-2-yl-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(2-pyridinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[4-(2-pyridyl)piperazino]benzenesulfonamide Formula: C18H23N5O4S MolecularWeight: 405.47132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-14(2)20-28(26,27)15-6-7-16(17(13-15)23(24)25)21-9-11-22(12-10-21)18-5-3-4-8-19-18/h3-8,13-14,20H,9-12H2,1-2H3