2,2-dimethyl-4-(7-nitrodibenzofuran-2-yl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(7-nitrodibenzofuran-2-yl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-(7-nitrodibenzofuran-2-yl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[(7-nitro-2-dibenzofuranyl)sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-(7-nitrodibenzofuran-2-yl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-(7-nitrodibenzofuran-2-yl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C19H18N2O7S2 MolecularWeight: 450.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C19H18N2O7S2/c1-19(2)17(18(22)23)20(7-8-29-19)30(26,27)12-4-6-15-14(10-12)13-5-3-11(21(24)25)9-16(13)28-15/h3-6,9-10,17H,7-8H2,1-2H3,(H,22,23)