N-(1-adamantylmethyl)-2-chloranyl-5-methylsulfonyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-methylsulfonyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-methylsulfonyl-benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-methylsulfonylbenzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-methylsulfonylbenzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-mesyl-benzamide Formula: C19H24ClNO3S MolecularWeight: 381.91676

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24ClNO3S/c1-25(23,24)15-2-3-17(20)16(7-15)18(22)21-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22)