1-(2-bromanyl-4-methyl-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(2-bromo-4-methyl-phenyl)sulfonyl-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(2-bromo-4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(2-bromo-4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(2-bromo-4-methyl-phenyl)sulfonyl-4-(2-thenyl)-1,4-diazepane Formula: C17H21BrN2O2S2 MolecularWeight: 429.39484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3)Br

InChI

InChI=1S/C17H21BrN2O2S2/c1-14-5-6-17(16(18)12-14)24(21,22)20-8-3-7-19(9-10-20)13-15-4-2-11-23-15/h2,4-6,11-12H,3,7-10,13H2,1H3