1-adamantyl-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]ammonium Formula: C19H26ClN2O3S+ MolecularWeight: 397.93934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25ClN2O3S/c1-26(24,25)15-2-3-16(20)17(7-15)22-18(23)11-21-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,21H,4-6,8-11H2,1H3,(H,22,23)/p+1