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

Systemtic Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-prop-2-ynyl-amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-prop-2-ynyl-amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-prop-2-ynylamino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-prop-2-ynylamino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propargyl-amino]butyl]-1,4-diazepan-5-one Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)S(=O)(=O)C)N(CCCCN2CCNCCC2=O)CC#C

Isomeric SMILES

CC(CC1=CC=C(C=C1)S(=O)(=O)C)N(CCCCN2CCNCCC2=O)CC#C

InChI

InChI=1S/C22H33N3O3S/c1-4-14-24(15-5-6-16-25-17-13-23-12-11-22(25)26)19(2)18-20-7-9-21(10-8-20)29(3,27)28/h1,7-10,19,23H,5-6,11-18H2,2-3H3