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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]-1,3-benzoxazol-2-one Formula: C22H23N3O8S MolecularWeight: 489.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O8S/c1-32-20-9-6-15(12-18(20)25(28)29)19(26)14-24-17-8-7-16(13-21(17)33-22(24)27)34(30,31)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11,14H2,1H3