2-azanyl-4-(4-methoxyphenyl)sulfonyl-6-nitro-5-(phenylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-6-nitro-5-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-6-nitro-quinoline-3-carboxylic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-6-nitro-5-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-6-nitroquinoline-3-carboxylic acid Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-6-nitro-quinoline-3-carboxylic acid Formula: C24H19N3O7S MolecularWeight: 493.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=C2C(=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=C2C(=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C24H19N3O7S/c1-34-15-7-9-16(10-8-15)35(32,33)22-20-17(13-14-5-3-2-4-6-14)19(27(30)31)12-11-18(20)26-23(25)21(22)24(28)29/h2-12H,13H2,1H3,(H2,25,26)(H,28,29)