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

Systemtic Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1,4-diazepan-5-one dihydrochloride Openeye Name: 4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-1,4-diazepan-5-one dihydrochloride CAS Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-diazepan-5-one dihydrochloride IUPAC Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-diazepan-5-one dihydrochloride Traditional Name: 4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-diazepan-5-one dihydrochloride Formula: C22H39Cl2N3O3S MolecularWeight: 496.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CCCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C22H37N3O3S.2ClH/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;;/h7-10,19,23H,4-6,11-18H2,1-3H3;2*1H