ethyl 4-[4-[(3-ethanoylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-ethanoylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-acetylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(3-acetylanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-acetylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-acetylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H25N3O6S/c1-3-31-22(28)24-11-13-25(14-12-24)32(29,30)20-9-7-17(8-10-20)21(27)23-19-6-4-5-18(15-19)16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,23,27)