[2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxo-ethyl] 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid [2-[cyclopropylmethyl(propyl)amino]-2-keto-ethyl] ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1CC1)C(=O)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O7S/c1-3-8-20(11-13-4-5-13)17(22)12-28-18(23)10-19-15-7-6-14(29(2,26)27)9-16(15)21(24)25/h6-7,9,13,19H,3-5,8,10-12H2,1-2H3