N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O4S/c1-18-3-5-22(6-4-18)33(31,32)28-8-2-7-27(9-10-28)23(29)17-26-24(30)25-14-19-11-20(15-25)13-21(12-19)16-25/h3-6,19-21H,2,7-17H2,1H3,(H,26,30)