ethyl 5-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(azepan-1-ylsulfonyl)piperazino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H36N4O5S MolecularWeight: 468.61004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H36N4O5S/c1-5-31-22(28)19-16(2)20(23-17(19)3)21(27)18(4)24-12-14-26(15-13-24)32(29,30)25-10-8-6-7-9-11-25/h18,23H,5-15H2,1-4H3