N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-nipecotamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC(=CC(=C5S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC(=CC(=C5S4)C)C

InChI

InChI=1S/C28H30N4O3S2/c1-19-9-11-24(12-10-19)37(34,35)31-14-6-7-22(17-31)27(33)32(18-23-8-4-5-13-29-23)28-30-25-16-20(2)15-21(3)26(25)36-28/h4-5,8-13,15-16,22H,6-7,14,17-18H2,1-3H3