(3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-mesyl-N-(2-methoxy-5-methyl-phenyl)nipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)[C@H]4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O4S2/c1-15-10-11-19(29-2)18(13-15)25(22-23-17-8-4-5-9-20(17)30-22)21(26)16-7-6-12-24(14-16)31(3,27)28/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3/t16-/m0/s1