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

Systemtic Name: N-methyl-3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(8-quinolinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[4-(8-quinolylmethyl)piperazino]benzenesulfonamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-22-31(29,30)18-7-8-19(20(14-18)26(27)28)25-12-10-24(11-13-25)15-17-5-2-4-16-6-3-9-23-21(16)17/h2-9,14,22H,10-13,15H2,1H3