[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O7S/c1-16-9-10-18(14-20(16)33(30,31)24-11-5-2-6-12-24)23-21(26)15-32-22(27)13-17-7-3-4-8-19(17)25(28)29/h3-4,7-10,14H,2,5-6,11-13,15H2,1H3,(H,23,26)