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

Systemtic Name: methyl 1-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H25N3O6S/c1-28-18(25)19(8-3-2-4-9-19)21-17(24)14-6-5-7-15(12-14)29(26,27)22-11-10-20-16(23)13-22/h5-7,12H,2-4,8-11,13H2,1H3,(H,20,23)(H,21,24)