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

Systemtic Name: ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazino]-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H38N4O5S MolecularWeight: 494.64732

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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)N3CCCCCC3)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C24H38N4O5S/c1-5-28-19(3)21(23(20(28)4)24(30)33-6-2)11-12-22(29)25-15-17-27(18-16-25)34(31,32)26-13-9-7-8-10-14-26/h11-12H,5-10,13-18H2,1-4H3/b12-11+