1-[1-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-2H-1,4-diazepin-3-one

Systemtic Name: 1-[1-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-2H-1,4-diazepin-3-one Openeye Name: 1-[1-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-2H-1,4-diazepin-3-one CAS Name: 1-[1-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-2H-1,4-diazepin-3-one IUPAC Name: 1-[1-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-2H-1,4-diazepin-3-one Traditional Name: 1-[1-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-2H-1,4-diazepin-3-one Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1CC(=O)N=CC=C1)N(CCC)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCC(N1CC(=O)N=CC=C1)N(CCC)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H33N3O3S/c1-5-8-22(24-15-7-13-23-21(26)17-24)25(14-6-2)18(3)16-19-9-11-20(12-10-19)29(4,27)28/h7,9-13,15,18,22H,5-6,8,14,16-17H2,1-4H3