2-[[1-oxidanylidene-2-(2-piperidin-4-ylethyl)-3,4-dihydroisoquinolin-6-yl]methyl-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[[1-oxidanylidene-2-(2-piperidin-4-ylethyl)-3,4-dihydroisoquinolin-6-yl]methyl-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-[[1-oxo-2-[2-(4-piperidyl)ethyl]-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetic acid CAS Name: 2-[benzenesulfonyl-[[1-oxo-2-[2-(4-piperidinyl)ethyl]-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-[[1-oxo-2-(2-piperidin-4-ylethyl)-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetic acid Traditional Name: 2-[besyl-[[1-keto-2-[2-(4-piperidyl)ethyl]-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCC3=C(C2=O)C=CC(=C3)CN(CC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCC1CCN2CCC3=C(C2=O)C=CC(=C3)CN(CC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O5S/c29-24(30)18-28(34(32,33)22-4-2-1-3-5-22)17-20-6-7-23-21(16-20)11-15-27(25(23)31)14-10-19-8-12-26-13-9-19/h1-7,16,19,26H,8-15,17-18H2,(H,29,30)