ethyl 4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-2-28-20(25)22-14-12-21(13-15-22)19(24)17-8-7-9-18(16-17)29(26,27)23-10-5-3-4-6-11-23/h7-9,16H,2-6,10-15H2,1H3