[2-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]-2-keto-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

CC(=O)OCC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C24H29N3O6S/c1-18(28)33-17-24(29)26-13-11-25(12-14-26)22-15-21(7-8-23(22)32-2)34(30,31)27-10-9-19-5-3-4-6-20(19)16-27/h3-8,15H,9-14,16-17H2,1-2H3