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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)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)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C27H27N3O3S2/c1-18-5-12-23(13-6-18)35(32,33)30-15-3-4-21(17-30)26(31)28-22-10-8-20(9-11-22)27-29-24-14-7-19(2)16-25(24)34-27/h5-14,16,21H,3-4,15,17H2,1-2H3,(H,28,31)