(5-bromanyl-2-oxidanyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4S/c1-14-3-6-16(7-4-14)27(25,26)22-10-2-9-21(11-12-22)19(24)17-13-15(20)5-8-18(17)23/h3-8,13,23H,2,9-12H2,1H3