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

Systemtic Name: methyl 2-[[1-oxidanylidene-2-(2-piperidin-4-ylethyl)-3,4-dihydroisoquinolin-6-yl]methyl-(phenylsulfonyl)amino]ethanoate Openeye Name: methyl 2-[benzenesulfonyl-[[1-oxo-2-[2-(4-piperidyl)ethyl]-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetate CAS Name: 2-[benzenesulfonyl-[[1-oxo-2-[2-(4-piperidinyl)ethyl]-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl-[[1-oxo-2-(2-piperidin-4-ylethyl)-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetate Traditional Name: 2-[besyl-[[1-keto-2-[2-(4-piperidyl)ethyl]-3,4-dihydroisoquinolin-6-yl]methyl]amino]acetic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC2=C(C=C1)C(=O)N(CC2)CCC3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN(CC1=CC2=C(C=C1)C(=O)N(CC2)CCC3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-34-25(30)19-29(35(32,33)23-5-3-2-4-6-23)18-21-7-8-24-22(17-21)12-16-28(26(24)31)15-11-20-9-13-27-14-10-20/h2-8,17,20,27H,9-16,18-19H2,1H3