4-[(2,4-dimethylphenyl)methyl-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2,4-dimethylphenyl)methyl-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(2,4-dimethylphenyl)methyl-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2,4-dimethylphenyl)methyl-methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2,4-dimethylphenyl)methyl-methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(2,4-dimethylbenzyl)-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O4S/c1-12-5-6-14(13(2)9-12)11-19(4)16-8-7-15(25(23,24)18-3)10-17(16)20(21)22/h5-10,18H,11H2,1-4H3