ethyl 4-[7-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]butanoate

Systemtic Name: ethyl 4-[7-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]butanoate Openeye Name: ethyl 4-[7-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]butanoate CAS Name: 4-[7-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[7-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]butanoate Traditional Name: 4-[7-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCN1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-2-27-21(24)9-6-13-23-14-12-17-10-11-20(15-18(17)16-23)28(25,26)22-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,22H,2,6,9,12-14,16H2,1H3