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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(benzylamino)-2-oxo-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-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-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-(benzylamino)-2-keto-ethyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O6S/c1-33-23-14-13-21(26(30)34-18-25(29)27-17-19-8-3-2-4-9-19)16-24(23)35(31,32)28-15-7-11-20-10-5-6-12-22(20)28/h2-6,8-10,12-14,16H,7,11,15,17-18H2,1H3,(H,27,29)