N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-isonipecotamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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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)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H30N4O3S2/c1-3-21-9-12-25-26(18-21)36-28(30-25)32(19-23-6-4-5-15-29-23)27(33)22-13-16-31(17-14-22)37(34,35)24-10-7-20(2)8-11-24/h4-12,15,18,22H,3,13-14,16-17,19H2,1-2H3