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

Systemtic Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-3-(2-quinolyl)-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25N3O3S/c1-19-7-12-22(13-8-19)31(29,30)27-16-4-15-26(17-18-27)24(28)14-11-21-10-9-20-5-2-3-6-23(20)25-21/h2-3,5-14H,4,15-18H2,1H3/b14-11+