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

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-22-11-5-6-17(22)19(25)21-18(24)14-29-20(26)15-7-9-16(10-8-15)30(27,28)23-12-3-2-4-13-23/h5-11H,2-4,12-14H2,1H3,(H,21,24,25)