3-chloranyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[[4-(dimethylaminomethyl)phenyl]methyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[[4-(dimethylaminomethyl)phenyl]methyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[[4-(dimethylaminomethyl)phenyl]methyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[4-(dimethylaminomethyl)benzyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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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)CN(C)C)Cl

Isomeric SMILES

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