2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]ethanoic acid

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]ethanoic acid Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C(=O)O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H32N2O4S/c1-31-21-9-13-23(14-10-21)32(30)22-11-7-19(8-12-22)24(25(28)29)27-17-15-26(16-18-27)20-5-3-2-4-6-20/h7-14,20,24H,2-6,15-18H2,1H3,(H,28,29)