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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-oxo-2-ureido-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-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-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-keto-2-ureido-ethyl) ester Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NC(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C19H18ClN3O6S/c20-16-6-5-14(9-15(16)18(25)29-11-17(24)22-19(21)26)30(27,28)23-8-7-12-3-1-2-4-13(12)10-23/h1-6,9H,7-8,10-11H2,(H3,21,22,24,26)