1-(3-aminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol

Systemtic Name: 1-(3-aminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol Openeye Name: 1-(3-aminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol CAS Name: 1-(3-aminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-1-propanol IUPAC Name: 1-(3-aminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropan-1-ol Traditional Name: 1-(3-aminophenyl)-3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol Formula: C28H35N3O3S MolecularWeight: 493.6608

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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)N)O

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3S/c1-35(33,34)27-13-11-23(12-14-27)22-31-17-6-16-30(19-20-31)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(29)21-25/h2-5,7-14,21,32H,6,15-20,22,29H2,1H3