N-(1-adamantylmethyl)-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-mesyl-3-nitro-benzamide Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O5S/c1-27(25,26)17-3-2-15(7-16(17)21(23)24)18(22)20-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,20,22)