N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-tosyl-isonipecotamide Formula: C25H27N5O3S2 MolecularWeight: 509.64358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5O3S2/c1-19-7-9-21(10-8-19)35(32,33)29-15-11-20(12-16-29)24(31)30(18-17-28-14-4-13-26-28)25-27-22-5-2-3-6-23(22)34-25/h2-10,13-14,20H,11-12,15-18H2,1H3