N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S2/c1-31-20-10-11-22-21(15-20)26-24(32-22)27(16-19-9-5-6-13-25-19)23(28)12-14-33(29,30)17-18-7-3-2-4-8-18/h2-11,13,15H,12,14,16-17H2,1H3