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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

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