N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O5S2/c1-29-19-11-10-16(32(27,28)25-12-6-2-3-7-13-25)14-18(19)23-21(26)15-31-22-24-17-8-4-5-9-20(17)30-22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,26)