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

Systemtic Name: ethyl 4-[2-[(3-methylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-methyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-3-methylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-3-methyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)24-14-12-23(13-15-24)21(26)17-25(19-9-7-8-18(2)16-19)31(28,29)20-10-5-4-6-11-20/h4-11,16H,3,12-15,17H2,1-2H3