1-methylsulfonyl-N-(phenylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(phenylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-benzyl-1-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-(phenylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-1-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-benzyl-1-mesyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)nipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H27N3O3S2/c1-29(26,27)23-13-7-10-17(15-23)20(25)24(14-16-8-3-2-4-9-16)21-22-18-11-5-6-12-19(18)28-21/h2-4,8-9,17H,5-7,10-15H2,1H3