1-(3,3-diphenylpropyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3,3-diphenylpropyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3,3-diphenylpropyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(3,3-diphenylpropyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3,3-diphenylpropyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3,3-diphenylpropyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C28H34N2O2S MolecularWeight: 462.64676

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2S/c1-33(31,32)27-15-13-24(14-16-27)23-30-19-8-18-29(21-22-30)20-17-28(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-16,28H,8,17-23H2,1H3