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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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