ethyl 4-methyl-2-[methyl-[4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]sulfonyl-amino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[methyl-[4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]sulfonyl-amino]pentanoate Openeye Name: ethyl 4-methyl-2-[methyl-[4-[[(3-nitro-4-pyridyl)amino]methyl]phenyl]sulfonyl-amino]pentanoate CAS Name: 4-methyl-2-[methyl-[4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]sulfonylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[methyl-[4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]sulfonylamino]pentanoate Traditional Name: 4-methyl-2-[methyl-[4-[[(3-nitro-4-pyridyl)amino]methyl]phenyl]sulfonyl-amino]valeric acid ethyl ester Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CNC2=C(C=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CNC2=C(C=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-5-31-21(26)19(12-15(2)3)24(4)32(29,30)17-8-6-16(7-9-17)13-23-18-10-11-22-14-20(18)25(27)28/h6-11,14-15,19H,5,12-13H2,1-4H3,(H,22,23)