4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,4-benzoxazin-3-one Formula: C25H29ClN4O5S MolecularWeight: 533.03956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H29ClN4O5S/c1-18-4-5-19(26)14-21(18)27-10-12-28(13-11-27)24(31)16-30-22-15-20(6-7-23(22)35-17-25(30)32)36(33,34)29-8-2-3-9-29/h4-7,14-15H,2-3,8-13,16-17H2,1H3