[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)butanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)butanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 4-ureidobutanoate CAS Name: 4-(carbamoylamino)butanoic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 4-(carbamoylamino)butanoate Traditional Name: 4-ureidobutyric acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)CCCNC(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)CCCNC(=O)N

InChI

InChI=1S/C17H23N3O6S/c1-27(24,25)20-9-3-4-12-10-13(6-7-14(12)20)15(21)11-26-16(22)5-2-8-19-17(18)23/h6-7,10H,2-5,8-9,11H2,1H3,(H3,18,19,23)