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

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-nitro-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N4O7S MolecularWeight: 490.52944

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O7S/c1-3-33-22(28)24-13-11-23(12-14-24)21(27)16-25(18-5-4-6-19(15-18)26(29)30)34(31,32)20-9-7-17(2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3