1,3-benzodioxol-5-ylmethyl-methyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]-methyl-piperonyl-ammonium Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

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