4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S2/c1-20-29(26,27)14-6-7-16(17(12-14)23(24)25)22-10-8-13(9-11-22)19-21-15-4-2-3-5-18(15)28-19/h2-7,12-13,20H,8-11H2,1H3