3-[3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanyl-1-phenyl-propyl]phenol

Systemtic Name: 3-[3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanyl-1-phenyl-propyl]phenol Openeye Name: 3-[1-hydroxy-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propyl]phenol CAS Name: 3-[1-hydroxy-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropyl]phenol IUPAC Name: 3-[1-hydroxy-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropyl]phenol Traditional Name: 3-[1-hydroxy-3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-propyl]phenol Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(C3=CC=CC=C3)(C4=CC(=CC=C4)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(C3=CC=CC=C3)(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C28H34N2O4S/c1-35(33,34)27-13-11-23(12-14-27)22-30-17-6-16-29(19-20-30)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(31)21-25/h2-5,7-14,21,31-32H,6,15-20,22H2,1H3