[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C29H31NO5S2 MolecularWeight: 537.69014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H31NO5S2/c31-27(24-14-12-22(13-15-24)21-7-2-1-3-8-21)20-35-28(32)19-26-25-10-5-4-9-23(25)16-17-30(26)37(33,34)29-11-6-18-36-29/h4-6,9-15,18,21,26H,1-3,7-8,16-17,19-20H2