N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)nipecotamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S2/c1-2-20-10-8-15-24-25(20)29-27(35-24)31(19-22-12-6-7-16-28-22)26(32)21-11-9-17-30(18-21)36(33,34)23-13-4-3-5-14-23/h3-8,10,12-16,21H,2,9,11,17-19H2,1H3