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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-tosyl-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)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S2/c1-17-8-10-19(11-9-17)31(28,29)26-15-12-18(13-16-26)23(27)24-14-4-7-22-25-20-5-2-3-6-21(20)30-22/h2-3,5-6,8-11,18H,4,7,12-16H2,1H3,(H,24,27)