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

Systemtic Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N,2,3-trimethyl-benzenesulfonamide Openeye Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide CAS Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-N,2,3-trimethylbenzenesulfonamide IUPAC Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N,2,3-trimethylbenzenesulfonamide Traditional Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-14-11-17(12-20(15(14)2)30(27,28)23-3)22(26)25-10-6-7-16(13-25)21-24-18-8-4-5-9-19(18)29-21/h4-5,8-9,11-12,16,23H,6-7,10,13H2,1-3H3/t16-/m0/s1