N-(2,4-dimethylphenyl)-3-nitro-4-[3-(4-oxidanylpiperidin-1-yl)propylamino]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[3-(4-oxidanylpiperidin-1-yl)propylamino]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[3-(4-hydroxy-1-piperidyl)propylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[3-(4-hydroxy-1-piperidinyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[3-(4-hydroxypiperidin-1-yl)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[3-(4-hydroxypiperidino)propylamino]-3-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCC(CC3)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCC(CC3)O)[N+](=O)[O-])C

InChI

InChI=1S/C22H30N4O5S/c1-16-4-6-20(17(2)14-16)24-32(30,31)19-5-7-21(22(15-19)26(28)29)23-10-3-11-25-12-8-18(27)9-13-25/h4-7,14-15,18,23-24,27H,3,8-13H2,1-2H3