N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-ethylsulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-ethylsulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-ethylsulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-esyl-isonipecotamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

InChI=1S/C24H29N3O3S2/c1-4-32(29,30)26-14-12-20(13-15-26)23(28)27(16-19-8-6-5-7-9-19)24-25-22-18(3)17(2)10-11-21(22)31-24/h5-11,20H,4,12-16H2,1-3H3