[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C

InChI

InChI=1S/C26H26N2O5S/c1-18-7-5-10-23(19(18)2)27-25(29)17-33-26(30)21-12-14-22(15-13-21)34(31,32)28-16-6-9-20-8-3-4-11-24(20)28/h3-5,7-8,10-15H,6,9,16-17H2,1-2H3,(H,27,29)