1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(3-pyridylmethyl)-1,4-diazepane Formula: C19H24BrN3O2S MolecularWeight: 438.38176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H24BrN3O2S/c1-2-17-13-18(20)6-7-19(17)26(24,25)23-10-4-9-22(11-12-23)15-16-5-3-8-21-14-16/h3,5-8,13-14H,2,4,9-12,15H2,1H3