1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide

Systemtic Name: 1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide Openeye Name: 1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide CAS Name: 1-[2-[4-(2,4-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-N3,N4-dimethylpyrrole-3,4-disulfonamide IUPAC Name: 1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3-N,4-N-dimethylpyrrole-3,4-disulfonamide Traditional Name: 1-[2-[4-(2,4-dimethylphenyl)piperazino]-2-keto-ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C20H29N5O5S2 MolecularWeight: 483.60476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C(=C3)S(=O)(=O)NC)S(=O)(=O)NC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C(=C3)S(=O)(=O)NC)S(=O)(=O)NC)C

InChI

InChI=1S/C20H29N5O5S2/c1-15-5-6-17(16(2)11-15)24-7-9-25(10-8-24)20(26)14-23-12-18(31(27,28)21-3)19(13-23)32(29,30)22-4/h5-6,11-13,21-22H,7-10,14H2,1-4H3