(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-(6-methyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-14-9-10-17-18(12-14)27-20(21-17)22-19(24)15-6-5-11-23(13-15)28(25,26)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,21,22,24)/t15-/m0/s1