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

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-8-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 2-amino-5-benzyl-8-isopropyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-8-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-8-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-benzyl-8-isopropyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C27H26N2O5S/c1-16(2)21-14-9-18(15-17-7-5-4-6-8-17)22-24(21)29-26(28)23(27(30)31)25(22)35(32,33)20-12-10-19(34-3)11-13-20/h4-14,16H,15H2,1-3H3,(H2,28,29)(H,30,31)