4-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(benzofuran-2-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[1-(2-benzofuranyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(benzofuran-2-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC3=C(C=C(C=C3)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC3=C(C=C(C=C3)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-14(20-12-15-6-4-5-7-19(15)29-20)22-17-9-8-16(13-18(17)24(25)26)30(27,28)21-10-11-23(2)3/h4-9,12-14,21-22H,10-11H2,1-3H3