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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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