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

Systemtic Name: N-methyl-3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[3-(2,3,5-trimethylphenoxy)propylamino]benzenesulfonamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-13-10-14(2)15(3)19(11-13)27-9-5-8-21-17-7-6-16(28(25,26)20-4)12-18(17)22(23)24/h6-7,10-12,20-21H,5,8-9H2,1-4H3