3-chloranyl-4-methyl-7-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]chromen-2-one

Systemtic Name: 3-chloranyl-4-methyl-7-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]chromen-2-one Openeye Name: 7-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]-3-chloro-4-methyl-chromen-2-one CAS Name: 7-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]-3-chloro-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]-3-chloro-4-methylchromen-2-one Traditional Name: 7-[2-(4-besylpiperazino)-2-keto-ethoxy]-3-chloro-4-methyl-coumarin Formula: C22H21ClN2O6S MolecularWeight: 476.92994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O6S/c1-15-18-8-7-16(13-19(18)31-22(27)21(15)23)30-14-20(26)24-9-11-25(12-10-24)32(28,29)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3