[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C23H25ClN2O5S/c24-21-10-9-19(32(29,30)26-12-11-16-5-1-2-6-17(16)14-26)13-20(21)23(28)31-15-22(27)25-18-7-3-4-8-18/h1-2,5-6,9-10,13,18H,3-4,7-8,11-12,14-15H2,(H,25,27)