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

Systemtic Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-1,3-benzoxazol-2-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H25N3O5S/c1-17-7-9-18(10-8-17)31(28,29)24-13-4-12-23(15-16-24)21(26)11-14-25-19-5-2-3-6-20(19)30-22(25)27/h2-3,5-10H,4,11-16H2,1H3