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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c30-26(28-18-6-10-21-8-2-1-3-9-21)20-34-27(31)23-14-16-24(17-15-23)35(32,33)29-19-7-12-22-11-4-5-13-25(22)29/h1-5,8-9,11,13-17H,6-7,10,12,18-20H2,(H,28,30)