N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S2/c1-19-12-13-22(33-2)24-25(19)34-26(28-24)29(17-21-10-6-14-27-16-21)23(30)11-7-15-35(31,32)18-20-8-4-3-5-9-20/h3-6,8-10,12-14,16H,7,11,15,17-18H2,1-2H3