methyl 1-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2(CCCCC2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2(CCCCC2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H32N2O6S/c1-29-18-11-10-17(16-19(18)31(27,28)24-14-8-3-4-9-15-24)20(25)23-22(21(26)30-2)12-6-5-7-13-22/h10-11,16H,3-9,12-15H2,1-2H3,(H,23,25)