1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H22N2O3S/c1-3-15(18)16-9-4-10-17(12-11-16)21(19,20)14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3