ethyl N-[3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: ethyl N-[3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-oxidanylidene-propyl]carbamate Openeye Name: ethyl N-[3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-3-oxo-propyl]carbamate CAS Name: N-[3-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-[2-(4-mesyl-2-nitro-anilino)ethylamino]propyl]carbamic acid ethyl ester Formula: C15H22N4O7S MolecularWeight: 402.42278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NCCC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O7S/c1-3-26-15(21)18-7-6-14(20)17-9-8-16-12-5-4-11(27(2,24)25)10-13(12)19(22)23/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,20)(H,18,21)