N-(2-dimethylaminoethyl)-4-(3,4-dimethylphenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(3,4-dimethylphenoxy)-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(3,4-dimethylphenoxy)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-(3,4-dimethylphenoxy)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(3,4-dimethylphenoxy)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-(3,4-dimethylphenoxy)-3-nitro-benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-13-5-6-15(11-14(13)2)26-18-8-7-16(12-17(18)21(22)23)27(24,25)19-9-10-20(3)4/h5-8,11-12,19H,9-10H2,1-4H3