N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(2,3-dihydrobenzofuran-2-ylmethylamino)butyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(2,3-dihydrobenzofuran-2-ylmethylamino)butyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(coumaran-2-ylmethylamino)butyl]-3-nitro-benzenesulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C21)CNCCCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C21)CNCCCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c23-22(24)16-7-5-8-18(13-16)28(25,26)21-11-4-3-10-20-14-17-12-15-6-1-2-9-19(15)27-17/h1-2,5-9,13,17,20-21H,3-4,10-12,14H2