2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-ethanol

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-ethanol Openeye Name: 1-phenyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanol CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylethanol IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylethanol Traditional Name: 1-phenyl-2-(4-tosyl-1,4-diazepan-1-yl)ethanol Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-17-8-10-19(11-9-17)26(24,25)22-13-5-12-21(14-15-22)16-20(23)18-6-3-2-4-7-18/h2-4,6-11,20,23H,5,12-16H2,1H3