3-methoxy-4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 3-methoxy-4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3-methoxy-4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 4-[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethoxy]-3-methoxy-benzaldehyde Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c1-30-19-11-15(13-24)5-6-18(19)31-14-20(25)21-7-9-22(10-8-21)32(28,29)17-4-2-3-16(12-17)23(26)27/h2-6,11-13H,7-10,14H2,1H3