2-[[4-(3-chloranyl-4-propan-2-ylsulfonyl-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(3-chloranyl-4-propan-2-ylsulfonyl-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(3-chloro-4-isopropylsulfonyl-thiophene-2-carbonyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]-5-[[4-(methylthio)phenyl]methoxy]-4-pyranone IUPAC Name: 2-[[4-(3-chloro-4-propan-2-ylsulfonylthiophene-2-carbonyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(3-chloro-4-isopropylsulfonyl-thiophene-2-carbonyl)piperazino]methyl]-5-[4-(methylthio)benzyl]oxy-pyran-4-one Formula: C26H29ClN2O6S3 MolecularWeight: 597.16626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H29ClN2O6S3/c1-17(2)38(32,33)23-16-37-25(24(23)27)26(31)29-10-8-28(9-11-29)13-19-12-21(30)22(15-34-19)35-14-18-4-6-20(36-3)7-5-18/h4-7,12,15-17H,8-11,13-14H2,1-3H3