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

Systemtic Name: methyl 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H34N2O5S/c1-30-22(27)23(15-5-4-6-16-23)24-21(26)14-11-19-9-12-20(13-10-19)31(28,29)25-17-7-2-3-8-18-25/h9-10,12-13H,2-8,11,14-18H2,1H3,(H,24,26)