4-(2-chloranyl-5-methyl-phenoxy)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2-chloranyl-5-methyl-phenoxy)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(2-chloro-5-methyl-phenoxy)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(2-chloro-5-methylphenoxy)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-chloro-5-methylphenoxy)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(2-chloro-5-methyl-phenoxy)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

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