N-(1-adamantylmethyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(1-adamantylmethyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(1-adamantylmethyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(1-adamantylmethyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(1-adamantylmethyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: 1-adamantylmethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-25(23,24)15-2-3-16(17(7-15)20(21)22)19-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14,19H,4-6,8-11H2,1H3