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

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-14-10-11-16(26-2)18-19(14)27-20(22-18)21-17(23)9-6-12-28(24,25)13-15-7-4-3-5-8-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,21,22,23)