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

Systemtic Name: N-tert-butyl-3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[4-(8-quinolinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[4-(8-quinolylmethyl)piperazino]benzenesulfonamide Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4S/c1-24(2,3)26-34(32,33)20-9-10-21(22(16-20)29(30)31)28-14-12-27(13-15-28)17-19-7-4-6-18-8-5-11-25-23(18)19/h4-11,16,26H,12-15,17H2,1-3H3