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

Systemtic Name: 4-[3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propyl]phenol Openeye Name: 4-[3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propyl]phenol CAS Name: 4-[3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropyl]phenol IUPAC Name: 4-[3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropyl]phenol Traditional Name: 4-[3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-propyl]phenol Formula: C28H34N2O3S MolecularWeight: 478.64616

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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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3S/c1-34(32,33)27-14-8-23(9-15-27)22-30-18-5-17-29(20-21-30)19-16-28(24-6-3-2-4-7-24)25-10-12-26(31)13-11-25/h2-4,6-15,28,31H,5,16-22H2,1H3