8-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 8-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-tert-butyl-quinoline-3-carboxylic acid CAS Name: 8-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-8-tert-butylquinoline-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-tert-butyl-quinoline-3-carboxylic acid Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C28H28N2O5S/c1-28(2,3)24-12-8-11-22-25(24)29-17-23(27(31)32)26(22)30(18-19-9-6-5-7-10-19)36(33,34)21-15-13-20(35-4)14-16-21/h5-17H,18H2,1-4H3,(H,31,32)