methyl 1-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C21H29N3O6S/c1-16(25)23-11-13-24(14-12-23)31(28,29)18-8-6-7-17(15-18)19(26)22-21(20(27)30-2)9-4-3-5-10-21/h6-8,15H,3-5,9-14H2,1-2H3,(H,22,26)