[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H25N3O8S2 MolecularWeight: 511.5685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S2/c1-14-10-17(24(27)28)18(31-2)12-16(14)22-19(25)13-32-20(26)11-15-6-7-21(33-15)34(29,30)23-8-4-3-5-9-23/h6-7,10,12H,3-5,8-9,11,13H2,1-2H3,(H,22,25)