N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4-methoxy-1,3-benzothiazol-2-yl)nipecotamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S2/c1-27-16-10-5-11-17-18(16)21-20(28-17)22-19(24)14-7-6-12-23(13-14)29(25,26)15-8-3-2-4-9-15/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,22,24)