4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-8-propan-2-yl-quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C(=CN=C21)C(=O)O)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC2=C(C(=CN=C21)C(=O)O)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

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