[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C27H28N2O5S/c1-2-25(26(30)28-19-20-9-4-3-5-10-20)34-27(31)22-14-16-23(17-15-22)35(32,33)29-18-8-12-21-11-6-7-13-24(21)29/h3-7,9-11,13-17,25H,2,8,12,18-19H2,1H3,(H,28,30)/t25-/m1/s1