2-[3-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[3-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[3-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]acetic acid CAS Name: 2-[3-[(4-cyclohexyl-1-piperazinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[3-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[3-(4-cyclohexylpiperazino)sulfonylphenyl]acetic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C18H26N2O4S/c21-18(22)14-15-5-4-8-17(13-15)25(23,24)20-11-9-19(10-12-20)16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2,(H,21,22)