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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-tosyl-isonipecotamide Formula: C25H26ClN5O3S2 MolecularWeight: 544.08864

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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=C(S4)C=CC=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=CC=C5Cl

InChI

InChI=1S/C25H26ClN5O3S2/c1-18-6-8-20(9-7-18)36(33,34)30-14-10-19(11-15-30)24(32)31(17-16-29-13-3-12-27-29)25-28-23-21(26)4-2-5-22(23)35-25/h2-9,12-13,19H,10-11,14-17H2,1H3