N-[4-chloranyl-3-(2-dimethylaminoethyloxy)phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-chloranyl-3-(2-dimethylaminoethyloxy)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)OCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)OCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O5S/c1-12-4-6-14(11-16(12)21(22)23)27(24,25)19-13-5-7-15(18)17(10-13)26-9-8-20(2)3/h4-7,10-11,19H,8-9H2,1-3H3