(5-bromanylthiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2O3S2/c1-13-3-5-14(6-4-13)25(22,23)20-10-2-9-19(11-12-20)17(21)15-7-8-16(18)24-15/h3-8H,2,9-12H2,1H3