N-[4-[2-[methyl-[(3-methyl-5-nitro-1-benzofuran-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[methyl-[(3-methyl-5-nitro-1-benzofuran-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[methyl-[(3-methyl-5-nitro-benzofuran-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[methyl-[(3-methyl-5-nitro-2-benzofuranyl)methyl]amino]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[methyl-[(3-methyl-5-nitro-1-benzofuran-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[methyl-[(3-methyl-5-nitro-benzofuran-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])CN(C)CCC3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])CN(C)CCC3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C20H23N3O5S/c1-14-18-12-17(23(24)25)8-9-19(18)28-20(14)13-22(2)11-10-15-4-6-16(7-5-15)21-29(3,26)27/h4-9,12,21H,10-11,13H2,1-3H3