ethyl 4-[4-[(2-methylsulfonylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-methylsulfonylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-methylsulfonylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(2-methylsulfonylanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methylsulfonylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(2-mesylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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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=C3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H25N3O7S2/c1-3-31-21(26)23-12-14-24(15-13-23)33(29,30)17-10-8-16(9-11-17)20(25)22-18-6-4-5-7-19(18)32(2,27)28/h4-11H,3,12-15H2,1-2H3,(H,22,25)