ethyl 3-[[4-(methylamino)-3-nitro-phenyl]sulfonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[4-(methylamino)-3-nitro-phenyl]sulfonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[4-(methylamino)-3-nitro-phenyl]sulfonylanilino)propanoate CAS Name: 3-(N-[4-(methylamino)-3-nitrophenyl]sulfonylanilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[4-(methylamino)-3-nitrophenyl]sulfonylanilino)propanoate Traditional Name: 3-(N-[4-(methylamino)-3-nitro-phenyl]sulfonylanilino)propionic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-3-27-18(22)11-12-20(14-7-5-4-6-8-14)28(25,26)15-9-10-16(19-2)17(13-15)21(23)24/h4-10,13,19H,3,11-12H2,1-2H3