O2-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester O4-ethyl ester Formula: C23H28ClN3O7S MolecularWeight: 526.00232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

InChI

InChI=1S/C23H28ClN3O7S/c1-4-33-22(29)20-14(2)21(25-15(20)3)23(30)34-13-19(28)26-18-12-16(8-9-17(18)24)35(31,32)27-10-6-5-7-11-27/h8-9,12,25H,4-7,10-11,13H2,1-3H3,(H,26,28)