[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S2/c1-31-18-10-9-16(12-17(18)23(26)27)32(28,29)22-13-20(25)30-14-19(24)21-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,22H,5,8,11,13-14H2,1H3,(H,21,24)