(E)-3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S/c1-17-6-9-20(10-7-17)28(26,27)24-13-3-12-23(14-15-24)21(25)11-8-18-4-2-5-19(22)16-18/h2,4-11,16H,3,12-15H2,1H3/b11-8+