1-(phenylmethyl)-4-(4-propylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(phenylmethyl)-4-(4-propylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(phenylmethyl)-4-(4-propylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane Formula: C21H28N2O2S MolecularWeight: 372.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-2-7-19-10-12-21(13-11-19)26(24,25)23-15-6-14-22(16-17-23)18-20-8-4-3-5-9-20/h3-5,8-13H,2,6-7,14-18H2,1H3