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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O2S/c1-2-17-14-18(20)4-5-19(17)26(24,25)23-11-3-10-22(12-13-23)15-16-6-8-21-9-7-16/h4-9,14H,2-3,10-13,15H2,1H3