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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

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