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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-mesyl-nipecotamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-16-12-17(2)21-20(13-16)30-23(24-21)26(14-18-8-5-4-6-9-18)22(27)19-10-7-11-25(15-19)31(3,28)29/h4-6,8-9,12-13,19H,7,10-11,14-15H2,1-3H3