[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C23H33ClN2O5S MolecularWeight: 485.03652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CCC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CCC3CCCCC3

InChI

InChI=1S/C23H33ClN2O5S/c24-20-12-11-19(32(29,30)26-14-6-1-2-7-15-26)16-21(20)25-22(27)17-31-23(28)13-10-18-8-4-3-5-9-18/h11-12,16,18H,1-10,13-15,17H2,(H,25,27)