N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c1-19-15-23-24(16-20(19)2)33-26(28-23)29(17-22-11-6-7-13-27-22)25(30)12-8-14-34(31,32)18-21-9-4-3-5-10-21/h3-7,9-11,13,15-16H,8,12,14,17-18H2,1-2H3