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

Systemtic Name: ethyl 4-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-2-32-23(29)26-13-11-25(12-14-26)22(28)18-7-8-20(24)21(15-18)33(30,31)27-10-9-17-5-3-4-6-19(17)16-27/h3-8,15H,2,9-14,16H2,1H3