N-(2-methylquinolin-6-yl)-N-methylsulfonyl-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-methylquinolin-6-yl)-N-methylsulfonyl-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-methyl-6-quinolyl)-N-methylsulfonyl-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-methyl-6-quinolinyl)-N-methylsulfonyl-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-methylquinolin-6-yl)-N-methylsulfonyl-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesyl-N-(2-methyl-6-quinolyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)N(C(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)N(C(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C23H18N4O3S2/c1-15-5-6-16-13-18(8-10-19(16)24-15)27(32(2,29)30)22(28)17-7-9-20-21(14-17)31-23(25-20)26-11-3-4-12-26/h3-14H,1-2H3