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

Systemtic Name: dimethyl-[2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]sulfonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[3-nitro-4-(p-tolylsulfanyl)phenyl]sulfonylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]sulfonylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]sulfonylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[3-nitro-4-(p-tolylthio)phenyl]sulfonylamino]ethyl]ammonium Formula: C17H22N3O4S2+ MolecularWeight: 396.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-13-4-6-14(7-5-13)25-17-9-8-15(12-16(17)20(21)22)26(23,24)18-10-11-19(2)3/h4-9,12,18H,10-11H2,1-3H3/p+1