ethyl 2-[(4-methylphenyl)sulfonyl-[[(3-nitrophenyl)carbonylamino]methyl]amino]ethanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonyl-[[(3-nitrophenyl)carbonylamino]methyl]amino]ethanoate Openeye Name: ethyl 2-[[(3-nitrobenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-[[[(3-nitrophenyl)-oxomethyl]amino]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)sulfonyl-[[(3-nitrobenzoyl)amino]methyl]amino]acetate Traditional Name: 2-[[(3-nitrobenzoyl)amino]methyl-tosyl-amino]acetic acid ethyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CN(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H21N3O7S/c1-3-29-18(23)12-21(30(27,28)17-9-7-14(2)8-10-17)13-20-19(24)15-5-4-6-16(11-15)22(25)26/h4-11H,3,12-13H2,1-2H3,(H,20,24)