1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(4-mesylbenzyl)-1,4-diazepane Formula: C21H27BrN2O4S2 MolecularWeight: 515.48408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O4S2/c1-3-18-15-19(22)7-10-21(18)30(27,28)24-12-4-11-23(13-14-24)16-17-5-8-20(9-6-17)29(2,25)26/h5-10,15H,3-4,11-14,16H2,1-2H3