4-[(3S,4R)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(3S,4R)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazine-1-carbaldehyde Openeye Name: 4-[(3S,4R)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-1,1-dioxo-thiolan-3-yl]piperazine-1-carbaldehyde CAS Name: 4-[(3S,4R)-4-(4-methoxy-3-methylphenyl)sulfonyl-1,1-dioxo-3-thiolanyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(3S,4R)-4-(4-methoxy-3-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]piperazine-1-carbaldehyde Traditional Name: 4-[(3S,4R)-1,1-diketo-4-(4-methoxy-3-methyl-phenyl)sulfonyl-thiolan-3-yl]piperazine-1-carbaldehyde Formula: C17H24N2O6S2 MolecularWeight: 416.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2CS(=O)(=O)CC2N3CCN(CC3)C=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N3CCN(CC3)C=O)OC

InChI

InChI=1S/C17H24N2O6S2/c1-13-9-14(3-4-16(13)25-2)27(23,24)17-11-26(21,22)10-15(17)19-7-5-18(12-20)6-8-19/h3-4,9,12,15,17H,5-8,10-11H2,1-2H3/t15-,17-/m0/s1