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

Systemtic Name: 2-azanyl-8-ethyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-benzyl-8-ethyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid CAS Name: 2-amino-8-ethyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-benzyl-8-ethyl-4-(4-methoxyphenyl)sulfonylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-benzyl-8-ethyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C26H24N2O5S/c1-3-17-9-10-18(15-16-7-5-4-6-8-16)21-23(17)28-25(27)22(26(29)30)24(21)34(31,32)20-13-11-19(33-2)12-14-20/h4-14H,3,15H2,1-2H3,(H2,27,28)(H,29,30)