2-azanyl-8-tert-butyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-8-tert-butyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-benzyl-8-tert-butyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid CAS Name: 2-amino-8-tert-butyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-benzyl-8-tert-butyl-4-(4-methoxyphenyl)sulfonylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-benzyl-8-tert-butyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

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