N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

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