1-(4-acetamidophenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-acetamidophenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-acetamidophenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-acetamidophenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetamidophenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-acetamidophenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O4S2/c1-14(26)22-16-6-8-17(9-7-16)31(28,29)25-12-10-15(11-13-25)20(27)24-21-23-18-4-2-3-5-19(18)30-21/h2-9,15H,10-13H2,1H3,(H,22,26)(H,23,24,27)