3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]-6-(4-methylpiperidino)sulfonyl-1,3-benzoxazol-2-one Formula: C22H23N3O8S MolecularWeight: 489.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O8S/c1-14-7-9-23(10-8-14)34(30,31)16-4-5-17-21(12-16)33-22(27)24(17)13-19(26)15-3-6-20(32-2)18(11-15)25(28)29/h3-6,11-12,14H,7-10,13H2,1-2H3