N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-tosyl-nipecotamide Formula: C27H31N5O3S2 MolecularWeight: 537.69674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=C(C=C5S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C27H31N5O3S2/c1-19-7-9-23(10-8-19)37(34,35)31-13-4-6-22(18-31)26(33)32(15-14-30-12-5-11-28-30)27-29-25-21(3)16-20(2)17-24(25)36-27/h5,7-12,16-17,22H,4,6,13-15,18H2,1-3H3