3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(8-quinolinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[4-(8-quinolylmethyl)piperazino]benzenesulfonamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-17(2)25-33(31,32)20-8-9-21(22(15-20)28(29)30)27-13-11-26(12-14-27)16-19-6-3-5-18-7-4-10-24-23(18)19/h3-10,15,17,25H,11-14,16H2,1-2H3