1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl]-methyl-piperonyl-ammonium Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O6S/c1-16(24(2)14-17-6-7-20-21(12-17)31-15-30-20)22(26)23-18-4-3-5-19(13-18)32(27,28)25-8-10-29-11-9-25/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1