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

Systemtic Name: ethyl 4-[2-[(2-ethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-2-ethyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-2-ethylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-2-ethyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-3-19-10-8-9-13-21(19)26(32(29,30)20-11-6-5-7-12-20)18-22(27)24-14-16-25(17-15-24)23(28)31-4-2/h5-13H,3-4,14-18H2,1-2H3