N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Formula: C23H20N3O7S- MolecularWeight: 482.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCC3COC4=CC=CC=C4O3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NC[C@H]3COC4=CC=CC=C4O3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c1-15-6-11-19(12-20(15)26(28)29)34(30,31)25-17-9-7-16(8-10-17)23(27)24-13-18-14-32-21-4-2-3-5-22(21)33-18/h2-12,18,25H,13-14H2,1H3,(H,24,27)/p-1/t18-/m0/s1