4-[[4-[3-(3-hydroxyphenyl)-3-oxidanyl-3-phenyl-propyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[[4-[3-(3-hydroxyphenyl)-3-oxidanyl-3-phenyl-propyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide Openeye Name: 4-[[4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenyl-propyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide CAS Name: 4-[[4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenylpropyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 4-[[4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenylpropyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide Traditional Name: 4-[[4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenyl-propyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)S(=O)(=O)N)CCC(C3=CC=CC=C3)(C4=CC(=CC=C4)O)O

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)S(=O)(=O)N)CCC(C3=CC=CC=C3)(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C27H33N3O4S/c28-35(33,34)26-12-10-22(11-13-26)21-30-16-5-15-29(18-19-30)17-14-27(32,23-6-2-1-3-7-23)24-8-4-9-25(31)20-24/h1-4,6-13,20,31-32H,5,14-19,21H2,(H2,28,33,34)