ethyl 4-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(cyclohexylamino)-oxomethyl]-4-methylphenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(cyclohexylcarbamoyl)-4-methylphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)23-11-13-24(14-12-23)30(27,28)18-10-9-16(2)19(15-18)20(25)22-17-7-5-4-6-8-17/h9-10,15,17H,3-8,11-14H2,1-2H3,(H,22,25)