[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21ClN2O5S/c22-18-8-5-15(21(26)29-13-20(25)23-17-6-7-17)11-19(18)30(27,28)24-10-9-14-3-1-2-4-16(14)12-24/h1-5,8,11,17H,6-7,9-10,12-13H2,(H,23,25)