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

Systemtic Name: ethyl 5-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]-5-keto-valeric acid ethyl ester Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6S/c1-3-36-27(32)10-6-9-26(31)29-17-15-28(16-18-29)24-19-23(11-12-25(24)35-2)37(33,34)30-14-13-21-7-4-5-8-22(21)20-30/h4-5,7-8,11-12,19H,3,6,9-10,13-18,20H2,1-2H3