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

Systemtic Name: 1-ethanoyl-4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1,4-diazepan-5-one Openeye Name: 1-acetyl-4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-1,4-diazepan-5-one CAS Name: 1-acetyl-4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-diazepan-5-one IUPAC Name: 1-acetyl-4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-diazepan-5-one Traditional Name: 1-acetyl-4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-diazepan-5-one Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCN(CCC1=O)C(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCN(CCCCN1CCN(CCC1=O)C(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C24H39N3O4S/c1-5-13-25(20(2)19-22-8-10-23(11-9-22)32(4,30)31)14-6-7-15-27-18-17-26(21(3)28)16-12-24(27)29/h8-11,20H,5-7,12-19H2,1-4H3