dimethyl-[2-[[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[4-(3-methylphenoxy)-3-nitrophenyl]sulfonylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(3-methylphenoxy)-3-nitrophenyl]sulfonylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl]ammonium Formula: C17H22N3O5S+ MolecularWeight: 380.43868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-13-5-4-6-14(11-13)25-17-8-7-15(12-16(17)20(21)22)26(23,24)18-9-10-19(2)3/h4-8,11-12,18H,9-10H2,1-3H3/p+1