6-methyl-3-[(E)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethenyl]chromen-4-one

Systemtic Name: 6-methyl-3-[(E)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethenyl]chromen-4-one Openeye Name: 6-methyl-3-[(E)-2-[5-(1-piperidylsulfonyl)-2-thienyl]vinyl]chromen-4-one CAS Name: 6-methyl-3-[(E)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethenyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[(E)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethenyl]chromen-4-one Traditional Name: 6-methyl-3-[(E)-2-(5-piperidinosulfonyl-2-thienyl)vinyl]chromone Formula: C21H21NO4S2 MolecularWeight: 415.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C=CC3=CC=C(S3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C3=CC=C(S3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H21NO4S2/c1-15-5-9-19-18(13-15)21(23)16(14-26-19)6-7-17-8-10-20(27-17)28(24,25)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3/b7-6+