[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O7S/c1-13(19(25)23-21(22)27)31-20(26)15-9-10-17(30-2)18(12-15)32(28,29)24-11-5-7-14-6-3-4-8-16(14)24/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3,(H3,22,23,25,27)/t13-/m0/s1