2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H31N3O5S/c1-18(26(2)17-19-6-11-22-23(16-19)32-15-14-31-22)24(28)25-20-7-9-21(10-8-20)33(29,30)27-12-4-3-5-13-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,25,28)/p+1/t18-/m0/s1