4-azanyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-6-methyl-quinoline-3-carboxylic acid; benzene

Systemtic Name: 4-azanyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-6-methyl-quinoline-3-carboxylic acid; benzene Openeye Name: 4-amino-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-6-methyl-quinoline-3-carboxylic acid; benzene CAS Name: 4-amino-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-6-methyl-3-quinolinecarboxylic acid; benzene IUPAC Name: 4-amino-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-6-methylquinoline-3-carboxylic acid; benzene Traditional Name: 4-amino-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-6-methyl-quinoline-3-carboxylic acid; benzene Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C(N=C2C=C1)C#C)C(=O)O)N)S(=O)(=O)C3=CC=C(C=C3)OC.C1=CC=CC=C1

Isomeric SMILES

CC1=C(C2=C(C(=C(N=C2C=C1)C#C)C(=O)O)N)S(=O)(=O)C3=CC=C(C=C3)OC.C1=CC=CC=C1

InChI

InChI=1S/C20H16N2O5S.C6H6/c1-4-14-17(20(23)24)18(21)16-15(22-14)10-5-11(2)19(16)28(25,26)13-8-6-12(27-3)7-9-13;1-2-4-6-5-3-1/h1,5-10H,2-3H3,(H2,21,22)(H,23,24);1-6H