4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-tert-butyl-benzenesulfonamide

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-tert-butyl-benzenesulfonamide Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-tert-butyl-benzenesulfonamide CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-tert-butylbenzenesulfonamide IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-tert-butylbenzenesulfonamide Traditional Name: N-tert-butyl-4-[3-keto-3-(4-piperonylpiperazino)propyl]benzenesulfonamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)26-34(30,31)21-8-4-19(5-9-21)7-11-24(29)28-14-12-27(13-15-28)17-20-6-10-22-23(16-20)33-18-32-22/h4-6,8-10,16,26H,7,11-15,17-18H2,1-3H3