N-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-N-phenyl-methanesulfonamide

Systemtic Name: N-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-N-phenyl-methanesulfonamide Openeye Name: N-[(1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]-N-phenyl-methanesulfonamide CAS Name: N-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-N-phenylmethanesulfonamide IUPAC Name: N-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]-N-phenylmethanesulfonamide Traditional Name: N-[(1R)-2-keto-1-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-phenyl-methanesulfonamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N(C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N(C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S/c1-17(25(31(2,27)28)19-6-4-3-5-7-19)22(26)24-12-10-23(11-13-24)15-18-8-9-20-21(14-18)30-16-29-20/h3-9,14,17H,10-13,15-16H2,1-2H3/p+1/t17-/m1/s1