[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O7S/c1-5-18(6-2,7-3)20-16(22)12-28-17(23)11-19-14-9-8-13(29(4,26)27)10-15(14)21(24)25/h1,8-10,19H,6-7,11-12H2,2-4H3,(H,20,22)