N-[3-[2-(4-methylsulfonylphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-(4-methylsulfonylphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-(4-methylsulfonylbenzoyl)hydrazino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[(4-methylsulfonylphenyl)-oxomethyl]hydrazo]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[N'-(4-mesylbenzoyl)hydrazino]propyl]adamantane-1-carboxamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O5S/c1-31(29,30)18-4-2-17(3-5-18)20(27)25-24-19(26)6-7-23-21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16H,6-13H2,1H3,(H,23,28)(H,24,26)(H,25,27)