(E)-3-(5-methylfuran-2-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-methyl-2-furyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-furanyl)-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-methylfuran-2-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-methyl-2-furyl)-1-(4-pyrrolidinosulfonylpiperazino)prop-2-en-1-one Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H23N3O4S/c1-14-4-5-15(23-14)6-7-16(20)17-10-12-19(13-11-17)24(21,22)18-8-2-3-9-18/h4-7H,2-3,8-13H2,1H3/b7-6+