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

Systemtic Name: ethyl 4-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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