N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1-piperidylsulfonyl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-piperidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-12-15(2)19-17(13-14)28-21(22-19)23-20(25)16-8-4-5-9-18(16)29(26,27)24-10-6-3-7-11-24/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,23,25)