6-(azepan-1-ylsulfonyl)-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O

InChI

InChI=1S/C22H26N2O5S/c1-17-8-4-5-9-20(17)28-15-14-24-19-11-10-18(16-21(19)29-22(24)25)30(26,27)23-12-6-2-3-7-13-23/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3