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

Systemtic Name: ethyl 5-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5S/c1-4-29-20(26)17-15(2)18(21-16(17)3)19(25)22-11-13-24(14-12-22)30(27,28)23-9-7-5-6-8-10-23/h21H,4-14H2,1-3H3