[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-oxo-2-(4-sec-butylphenyl)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [2-(4-butan-2-ylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylphenyl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [2-keto-2-(4-sec-butylphenyl)ethyl] ester Formula: C29H31NO6S MolecularWeight: 521.62454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C29H31NO6S/c1-4-20(2)21-11-13-23(14-12-21)26(31)19-36-29(32)24-15-16-27(35-3)28(18-24)37(33,34)30-17-7-9-22-8-5-6-10-25(22)30/h5-6,8,10-16,18,20H,4,7,9,17,19H2,1-3H3