5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,3-dimethyl-benzenesulfonamide

Systemtic Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,3-dimethyl-benzenesulfonamide Openeye Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,3-dimethyl-benzenesulfonamide CAS Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2,3-dimethylbenzenesulfonamide IUPAC Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide Traditional Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,3-dimethyl-benzenesulfonamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N)C

InChI

InChI=1S/C21H23N3O3S2/c1-13-10-16(11-19(14(13)2)29(22,26)27)21(25)24-9-5-6-15(12-24)20-23-17-7-3-4-8-18(17)28-20/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H2,22,26,27)/t15-/m0/s1