2-azanyl-4-(4-methoxyphenyl)sulfonyl-8-methyl-5-(phenylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-8-methyl-5-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-8-methyl-quinoline-3-carboxylic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-8-methyl-5-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-8-methyl-quinoline-3-carboxylic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)CC3=CC=CC=C3)C(=C(C(=N2)N)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)CC3=CC=CC=C3)C(=C(C(=N2)N)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22N2O5S/c1-15-8-9-17(14-16-6-4-3-5-7-16)20-22(15)27-24(26)21(25(28)29)23(20)33(30,31)19-12-10-18(32-2)11-13-19/h3-13H,14H2,1-2H3,(H2,26,27)(H,28,29)