ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N3O5S/c1-2-31-23(28)25-14-12-24(13-15-25)22(27)19-8-5-9-21(16-19)32(29,30)26-11-10-18-6-3-4-7-20(18)17-26/h3-9,16H,2,10-15,17H2,1H3