1-cyclohexylcarbonyl-4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one

Systemtic Name: 1-cyclohexylcarbonyl-4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 1-(cyclohexanecarbonyl)-4-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 1-[cyclohexyl(oxo)methyl]-4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 1-(cyclohexanecarbonyl)-4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 1-(cyclohexanecarbonyl)-4-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-1,4-diazepan-5-one Formula: C28H45N3O4S MolecularWeight: 519.7396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CCC1=O)C(=O)C2CCCCC2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCN(CCC1=O)C(=O)C2CCCCC2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C28H45N3O4S/c1-4-29(23(2)22-24-12-14-26(15-13-24)36(3,34)35)17-8-9-18-30-20-21-31(19-16-27(30)32)28(33)25-10-6-5-7-11-25/h12-15,23,25H,4-11,16-22H2,1-3H3