[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H34N2O5S/c30-26(28-22-12-5-2-1-3-6-13-22)20-34-27(31)19-25-24-16-10-9-11-21(24)17-18-29(25)35(32,33)23-14-7-4-8-15-23/h4,7-11,14-16,22,25H,1-3,5-6,12-13,17-20H2,(H,28,30)