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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C25H27N5O4S2 MolecularWeight: 525.64298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5O4S2/c1-34-20-9-11-21(12-10-20)36(32,33)29-15-4-6-19(18-29)24(31)30(17-16-28-14-5-13-26-28)25-27-22-7-2-3-8-23(22)35-25/h2-3,5,7-14,19H,4,6,15-18H2,1H3