N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O4S2/c1-2-35-22-12-6-13-23-24(22)28-26(36-23)31(18-17-29-15-8-14-27-29)25(32)20-9-7-16-30(19-20)37(33,34)21-10-4-3-5-11-21/h3-6,8,10-15,20H,2,7,9,16-19H2,1H3