ethyl 5-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate

Systemtic Name: ethyl 5-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate Openeye Name: ethyl 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate CAS Name: 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate Traditional Name: 5-[7-(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=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCN1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

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