ethyl 5-[5-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate

Systemtic Name: ethyl 5-[5-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate Openeye Name: ethyl 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate CAS Name: 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate Traditional Name: 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]valeric acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1CCC2=C(C1)C=CC=C2NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCN1CCC2=C(C1)C=CC=C2NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-2-28-22(25)13-6-7-15-24-16-14-20-18(17-24)9-8-12-21(20)23-29(26,27)19-10-4-3-5-11-19/h3-5,8-12,23H,2,6-7,13-17H2,1H3