6-[2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C27H29N5O6S2 MolecularWeight: 583.67906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC(=CC=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC(=CC=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C27H29N5O6S2/c33-23(18-8-9-24-22(15-18)28-25(34)16-38-24)17-39-27-30-29-26(32(27)20-5-1-2-6-20)19-4-3-7-21(14-19)40(35,36)31-10-12-37-13-11-31/h3-4,7-9,14-15,20H,1-2,5-6,10-13,16-17H2,(H,28,34)