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

Systemtic Name: 3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-(8-quinolylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-(8-quinolinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-(8-quinolylmethyl)piperazino]benzenesulfonamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c21-30(28,29)17-6-7-18(19(13-17)25(26)27)24-11-9-23(10-12-24)14-16-4-1-3-15-5-2-8-22-20(15)16/h1-8,13H,9-12,14H2,(H2,21,28,29)