(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H22N2O8S MolecularWeight: 510.51578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C25H22N2O8S/c1-16-9-17-5-2-3-8-23(17)26(16)36(31,32)22-7-4-6-18(12-22)25(28)34-14-20-11-21(27(29)30)10-19-13-33-15-35-24(19)20/h2-8,10-12,16H,9,13-15H2,1H3