N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H27N3O3S2/c1-16-7-8-21(17(2)15-16)31(28,29)26-13-10-18(11-14-26)23(27)24-12-9-22-25-19-5-3-4-6-20(19)30-22/h3-8,15,18H,9-14H2,1-2H3,(H,24,27)