N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-1-mesyl-isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-15-12-16(2)14-18(13-15)25(22-23-19-6-4-5-7-20(19)29-22)21(26)17-8-10-24(11-9-17)30(3,27)28/h4-7,12-14,17H,8-11H2,1-3H3