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

Systemtic Name: ethyl 4-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-nitro-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-3-nitroanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-3-nitro-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O7S/c1-2-32-21(27)23-13-11-22(12-14-23)20(26)16-24(17-7-6-8-18(15-17)25(28)29)33(30,31)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3