[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C28H35N3O6S MolecularWeight: 541.659

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)NCC4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)NCC4CCCCC4

InChI

InChI=1S/C28H35N3O6S/c1-20(32)30-23-11-13-24(14-12-23)38(35,36)31-16-15-22-9-5-6-10-25(22)26(31)17-28(34)37-19-27(33)29-18-21-7-3-2-4-8-21/h5-6,9-14,21,26H,2-4,7-8,15-19H2,1H3,(H,29,33)(H,30,32)