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

Systemtic Name: 6-chloranyl-7-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(3-cyclopentyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C20H26ClN3O5S/c21-15-11-16-17(29-13-19(25)22-16)12-18(15)30(27,28)24-9-7-23(8-10-24)20(26)6-5-14-3-1-2-4-14/h11-12,14H,1-10,13H2,(H,22,25)