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

Systemtic Name: methyl 4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Traditional Name: 4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoic acid methyl 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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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