N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: coumaran-2-ylmethyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-22(24)18-12-16(29(25,26)21-7-9-27-10-8-21)5-6-17(18)20-13-15-11-14-3-1-2-4-19(14)28-15/h1-6,12,15,20H,7-11,13H2