5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-N-propan-2-yl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-isopropyl-2-methoxy-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-2-methoxy-5-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H29N3O6S/c1-16(2)24-33(28,29)22-13-18(5-7-20(22)30-3)23(27)26-10-8-25(9-11-26)14-17-4-6-19-21(12-17)32-15-31-19/h4-7,12-13,16,24H,8-11,14-15H2,1-3H3/p+1