N-(6-methyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide 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)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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