3-chloranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]adamantane-1-carboxamide Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H26ClN3O5S/c1-30(28,29)15-2-3-16(17(7-15)24(26)27)22-4-5-23-18(25)19-8-13-6-14(9-19)11-20(21,10-13)12-19/h2-3,7,13-14,22H,4-6,8-12H2,1H3,(H,23,25)