6-chloranyl-3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-1,3-benzoxazol-2-one Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C22H24ClN3O5S/c1-16-3-6-18(7-4-16)32(29,30)25-11-2-10-24(13-14-25)21(27)9-12-26-19-8-5-17(23)15-20(19)31-22(26)28/h3-8,15H,2,9-14H2,1H3