N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-tosyl-isonipecotamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C27H27N3O3S2/c1-18-3-10-23(11-4-18)35(32,33)30-15-13-20(14-16-30)26(31)28-22-8-6-21(7-9-22)27-29-24-12-5-19(2)17-25(24)34-27/h3-12,17,20H,13-16H2,1-2H3,(H,28,31)