ethyl 4-[2-[(3-chlorophenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-chloro-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-3-chloro-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O5S/c1-2-30-21(27)24-13-11-23(12-14-24)20(26)16-25(18-8-6-7-17(22)15-18)31(28,29)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3