6-chloranyl-7-[4-(4-phenylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-(4-phenylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(4-phenylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(1-oxo-4-phenylbutyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(4-phenylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(4-phenylbutanoyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C22H24ClN3O5S/c23-17-13-18-19(31-15-21(27)24-18)14-20(17)32(29,30)26-11-9-25(10-12-26)22(28)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12,15H2,(H,24,27)