3-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzaldehyde

Systemtic Name: 3-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzaldehyde Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-benzaldehyde CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-methylbenzaldehyde Traditional Name: 4-(4-besylpiperazino)-3-methyl-benzaldehyde Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3S/c1-15-13-16(14-21)7-8-18(15)19-9-11-20(12-10-19)24(22,23)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3