ethyl 4-[(E)-3-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-[4-(dimethylsulfamoyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-[4-(dimethylsulfamoyl)piperazino]-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCN(CC2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C20H32N4O5S/c1-7-24-15(3)17(19(16(24)4)20(26)29-8-2)9-10-18(25)22-11-13-23(14-12-22)30(27,28)21(5)6/h9-10H,7-8,11-14H2,1-6H3/b10-9+