[4-[[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]methyl]benzyl]-dimethyl-ammonium Formula: C17H21ClN3O4S+ MolecularWeight: 398.88434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)C[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)C[NH+](C)C)Cl

InChI

InChI=1S/C17H20ClN3O4S/c1-12-16(18)8-15(9-17(12)21(22)23)26(24,25)19-10-13-4-6-14(7-5-13)11-20(2)3/h4-9,19H,10-11H2,1-3H3/p+1