3-[3-ethoxy-2-[1-(4-methylpiperazin-1-yl)propyl]-4-oxidanyl-5-propan-2-yl-phenyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 3-[3-ethoxy-2-[1-(4-methylpiperazin-1-yl)propyl]-4-oxidanyl-5-propan-2-yl-phenyl]-4-methyl-benzenesulfonic acid Openeye Name: 3-[3-ethoxy-4-hydroxy-5-isopropyl-2-[1-(4-methylpiperazin-1-yl)propyl]phenyl]-4-methyl-benzenesulfonic acid CAS Name: 3-[3-ethoxy-4-hydroxy-2-[1-(4-methyl-1-piperazinyl)propyl]-5-propan-2-ylphenyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-[3-ethoxy-4-hydroxy-2-[1-(4-methylpiperazin-1-yl)propyl]-5-propan-2-ylphenyl]-4-methylbenzenesulfonic acid Traditional Name: 3-[3-ethoxy-4-hydroxy-5-isopropyl-2-[1-(4-methylpiperazino)propyl]phenyl]-4-methyl-besylic acid Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1C2=C(C=CC(=C2)S(=O)(=O)O)C)C(C)C)O)OCC)N3CCN(CC3)C

Isomeric SMILES

CCC(C1=C(C(=C(C=C1C2=C(C=CC(=C2)S(=O)(=O)O)C)C(C)C)O)OCC)N3CCN(CC3)C

InChI

InChI=1S/C26H38N2O5S/c1-7-23(28-13-11-27(6)12-14-28)24-22(16-20(17(3)4)25(29)26(24)33-8-2)21-15-19(34(30,31)32)10-9-18(21)5/h9-10,15-17,23,29H,7-8,11-14H2,1-6H3,(H,30,31,32)