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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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