4-(1,3-benzothiazol-6-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methyl-quinoline-3-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-6-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methyl-quinoline-3-carboxamide Openeye Name: 4-(1,3-benzothiazol-6-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methyl-quinoline-3-carboxamide CAS Name: 4-(1,3-benzothiazol-6-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methyl-3-quinolinecarboxamide IUPAC Name: 4-(1,3-benzothiazol-6-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide Traditional Name: 4-(1,3-benzothiazol-6-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methyl-quinoline-3-carboxamide Formula: C25H20N4O4S2 MolecularWeight: 504.5807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)S(=O)(=O)C3=CC=C(C=C3)OC)C(=C(C=N2)C(=O)N)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC1=C2C(=CC(=C1)S(=O)(=O)C3=CC=C(C=C3)OC)C(=C(C=N2)C(=O)N)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H20N4O4S2/c1-14-9-18(35(31,32)17-6-4-16(33-2)5-7-17)11-19-23(14)27-12-20(25(26)30)24(19)29-15-3-8-21-22(10-15)34-13-28-21/h3-13H,1-2H3,(H2,26,30)(H,27,29)