[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O6S/c1-23-11-5-6-18(23)21(27)22-19(25)15-30-20(26)14-16-7-9-17(10-8-16)31(28,29)24-12-3-2-4-13-24/h5-11H,2-4,12-15H2,1H3,(H,22,25,27)