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

Systemtic Name: 3-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-oxo-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-tosyl-1,4-diazepan-1-yl)butyl]-1,3-benzoxazol-2-one Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H27N3O5S/c1-18-9-11-19(12-10-18)32(29,30)25-14-5-13-24(16-17-25)22(27)8-4-15-26-20-6-2-3-7-21(20)31-23(26)28/h2-3,6-7,9-12H,4-5,8,13-17H2,1H3