N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C25H27N5O4S2 MolecularWeight: 525.64298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

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