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1-adamantyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

1-adamantyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name:1-adamantyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
Openeye Name:1-adamantyl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone
CAS Name:1-adamantyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
IUPAC Name:1-adamantyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
Traditional Name:1-adamantyl-(4-tosyl-1,4-diazepan-1-yl)methanone
Formula: C23H32N2O3S
MolecularWeight: 416.57678
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H32N2O3S/c1-17-3-5-21(6-4-17)29(27,28)25-8-2-7-24(9-10-25)22(26)23-14-18-11-19(15-23)13-20(12-18)16-23/h3-6,18-20H,2,7-16H2,1H3


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