[2-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate Openeye Name: [2-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[oxo-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]methyl]phenyl] ester IUPAC Name: [2-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-3-12-29(26,27)23-11-10-16-8-9-18(13-17(16)14-23)22-21(25)19-6-4-5-7-20(19)28-15(2)24/h4-9,13H,3,10-12,14H2,1-2H3,(H,22,25)