ethyl 4-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28ClN3O5S MolecularWeight: 457.97142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O5S/c1-2-29-20(26)23-13-11-22(12-14-23)19(25)17-15-16(7-8-18(17)21)30(27,28)24-9-5-3-4-6-10-24/h7-8,15H,2-6,9-14H2,1H3