N-[[4-butyl-1-(3,4-dimethoxyphenyl)piperazin-2-yl]methyl]-4-(methylsulfonylamino)benzenesulfonamide

Systemtic Name: N-[[4-butyl-1-(3,4-dimethoxyphenyl)piperazin-2-yl]methyl]-4-(methylsulfonylamino)benzenesulfonamide Openeye Name: N-[[4-butyl-1-(3,4-dimethoxyphenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzenesulfonamide CAS Name: N-[[4-butyl-1-(3,4-dimethoxyphenyl)-2-piperazinyl]methyl]-4-(methanesulfonamido)benzenesulfonamide IUPAC Name: N-[[4-butyl-1-(3,4-dimethoxyphenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzenesulfonamide Traditional Name: N-[[4-butyl-1-(3,4-dimethoxyphenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzenesulfonamide Formula: C24H36N4O6S2 MolecularWeight: 540.69584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)CNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1CCN(C(C1)CNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H36N4O6S2/c1-5-6-13-27-14-15-28(20-9-12-23(33-2)24(16-20)34-3)21(18-27)17-25-36(31,32)22-10-7-19(8-11-22)26-35(4,29)30/h7-12,16,21,25-26H,5-6,13-15,17-18H2,1-4H3