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

Systemtic Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-1,4-diazepan-5-one Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O3S/c1-4-23(14-5-6-15-24-16-13-22-12-11-21(24)25)18(2)17-19-7-9-20(10-8-19)28(3,26)27/h7-10,18,22H,4-6,11-17H2,1-3H3