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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S2/c1-25(2)14-11-23-33(30,31)17-7-8-19(20(15-17)27(28)29)26-12-9-16(10-13-26)22-24-18-5-3-4-6-21(18)32-22/h3-8,15-16,23H,9-14H2,1-2H3