N-(2-adamantyl)-2-[(4-methylphenyl)sulfonylamino]-5-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-2-[(4-methylphenyl)sulfonylamino]-5-nitro-benzamide Openeye Name: N-(2-adamantyl)-5-nitro-2-(p-tolylsulfonylamino)benzamide CAS Name: N-(2-adamantyl)-2-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide IUPAC Name: N-(2-adamantyl)-2-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide Traditional Name: N-(2-adamantyl)-5-nitro-2-(tosylamino)benzamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H27N3O5S/c1-14-2-5-20(6-3-14)33(31,32)26-22-7-4-19(27(29)30)13-21(22)24(28)25-23-17-9-15-8-16(11-17)12-18(23)10-15/h2-7,13,15-18,23,26H,8-12H2,1H3,(H,25,28)