N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O4S2/c1-13-6-7-14(2)19-18(13)22-20(27-19)21-17(23)5-4-12-28(24,25)16-10-8-15(26-3)9-11-16/h6-11H,4-5,12H2,1-3H3,(H,21,22,23)