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

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

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4

InChI

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