N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC[C@@H]3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c23-22(24)17-11-15(30(25,26)21-7-9-27-10-8-21)5-6-16(17)20-12-14-13-28-18-3-1-2-4-19(18)29-14/h1-6,11,14,20H,7-10,12-13H2/t14-/m1/s1