1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C20H26BrN3O2S/c1-3-17-14-18(21)8-9-20(17)27(25,26)24-11-5-10-23(12-13-24)15-19-7-4-6-16(2)22-19/h4,6-9,14H,3,5,10-13,15H2,1-2H3