4-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepan-2-yl]phenol

Systemtic Name: 4-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepan-2-yl]phenol Openeye Name: 4-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepan-2-yl]phenol CAS Name: 4-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepan-2-yl]phenol IUPAC Name: 4-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepan-2-yl]phenol Traditional Name: 4-[1-(4-mesylbenzyl)-2-phenyl-4-propyl-1,4-diazepan-2-yl]phenol Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(C(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCN1CCCN(C(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H34N2O3S/c1-3-18-29-19-7-20-30(21-23-10-16-27(17-11-23)34(2,32)33)28(22-29,24-8-5-4-6-9-24)25-12-14-26(31)15-13-25/h4-6,8-17,31H,3,7,18-22H2,1-2H3