6-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-6-bromo-quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-bromoquinoline-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-6-bromo-quinoline-3-carboxylic acid Formula: C24H19BrN2O5S MolecularWeight: 527.38706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C4C=C(C=CC4=NC=C3C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C4C=C(C=CC4=NC=C3C(=O)O)Br

InChI

InChI=1S/C24H19BrN2O5S/c1-32-18-8-10-19(11-9-18)33(30,31)27(15-16-5-3-2-4-6-16)23-20-13-17(25)7-12-22(20)26-14-21(23)24(28)29/h2-14H,15H2,1H3,(H,28,29)