6-chloranyl-7-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(2-thienylsulfonyl)piperazino]methyl]coumarin Formula: C19H19ClN2O4S2 MolecularWeight: 438.94816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C19H19ClN2O4S2/c1-13-9-17-15(11-16(13)20)14(10-18(23)26-17)12-21-4-6-22(7-5-21)28(24,25)19-3-2-8-27-19/h2-3,8-11H,4-7,12H2,1H3