N'-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyladamantane-1-carbohydrazide

Systemtic Name: N'-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyladamantane-1-carbohydrazide Openeye Name: N'-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]adamantane-1-carbohydrazide CAS Name: N'-[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]adamantane-1-carbohydrazide Traditional Name: N'-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]adamantane-1-carbohydrazide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H35N3O5S/c1-33-21-7-6-20(13-22(21)34(31,32)28-8-4-2-3-5-9-28)23(29)26-27-24(30)25-14-17-10-18(15-25)12-19(11-17)16-25/h6-7,13,17-19H,2-5,8-12,14-16H2,1H3,(H,26,29)(H,27,30)