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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-nipecotamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S2/c1-19-11-13-22(14-12-19)35(32,33)29-16-6-7-20(17-29)25(31)30(18-21-8-4-5-15-27-21)26-28-23-9-2-3-10-24(23)34-26/h2-5,8-15,20H,6-7,16-18H2,1H3