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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-1-mesyl-N-(4-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O3S2/c1-16-7-6-10-19-20(16)23-22(29-19)25(15-17-8-4-3-5-9-17)21(26)18-11-13-24(14-12-18)30(2,27)28/h3-10,18H,11-15H2,1-2H3