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

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[(1-methylsulfonylpiperidin-4-yl)amino]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[(1-methylsulfonyl-4-piperidyl)amino]-3-oxo-prop-1-enyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[(E)-3-[(1-methylsulfonyl-4-piperidinyl)amino]-3-oxoprop-1-enyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[(1-methylsulfonylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-keto-3-[(1-mesyl-4-piperidyl)amino]prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NC2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NC2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C20H31N3O5S/c1-6-23-14(3)17(19(15(23)4)20(25)28-7-2)8-9-18(24)21-16-10-12-22(13-11-16)29(5,26)27/h8-9,16H,6-7,10-13H2,1-5H3,(H,21,24)/b9-8+