3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide CAS Name: 3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide Traditional Name: 3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C)C

InChI

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