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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-chloranyl-4-propan-2-ylsulfonyl-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-chloro-4-isopropylsulfonyl-thiophene-2-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-chloro-4-propan-2-ylsulfonylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(3-chloro-4-isopropylsulfonyl-thiophene-2-carbonyl)piperazino]methyl]pyran-4-one Formula: C29H35ClN2O6S2 MolecularWeight: 607.181

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35ClN2O6S2/c1-19(2)40(35,36)25-18-39-27(26(25)30)28(34)32-12-10-31(11-13-32)15-22-14-23(33)24(17-37-22)38-16-20-6-8-21(9-7-20)29(3,4)5/h6-9,14,17-19H,10-13,15-16H2,1-5H3