[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-2-11-23-20(25)14-29-21(26)17-13-16(9-10-18(17)22)30(27,28)24-12-5-7-15-6-3-4-8-19(15)24/h2-4,6,8-10,13H,1,5,7,11-12,14H2,(H,23,25)