(E)-3-(5-bromanylfuran-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanylfuran-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-furyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-furanyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromofuran-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-furyl)-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one 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)C=CC3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-15-3-7-17(8-4-15)27(24,25)22-12-2-11-21(13-14-22)19(23)10-6-16-5-9-18(20)26-16/h3-10H,2,11-14H2,1H3/b10-6+