6-(azepan-1-ylsulfonyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-oxo-2-(p-tolyl)ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-keto-2-(p-tolyl)ethyl]-1,3-benzoxazol-2-one Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O

InChI

InChI=1S/C22H24N2O5S/c1-16-6-8-17(9-7-16)20(25)15-24-19-11-10-18(14-21(19)29-22(24)26)30(27,28)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3