6-chloranyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-6-chloro-1,3-benzoxazol-2-one Formula: C20H20ClN3O5S MolecularWeight: 449.9079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)Cl)OC2=O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)Cl)OC2=O)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O5S/c21-16-6-7-17-18(12-16)29-20(26)24(17)13-19(25)22-8-10-23(11-9-22)30(27,28)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2