4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-nitro-benzaldehyde Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O5S/c1-14-3-6-19(15(2)11-14)28(26,27)21-9-7-20(8-10-21)17-5-4-16(13-23)12-18(17)22(24)25/h3-6,11-13H,7-10H2,1-2H3