N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C22H26N2O4S2/c1-5-24-19-14-15(2)13-16(3)21(19)29-22(24)23-20(25)7-6-12-30(26,27)18-10-8-17(28-4)9-11-18/h8-11,13-14H,5-7,12H2,1-4H3