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

Systemtic Name: methyl 1-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(4-benzylpiperazino)sulfonylbenzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-34-25(31)26(13-6-3-7-14-26)27-24(30)22-11-8-12-23(19-22)35(32,33)29-17-15-28(16-18-29)20-21-9-4-2-5-10-21/h2,4-5,8-12,19H,3,6-7,13-18,20H2,1H3,(H,27,30)