4-(4-cyclohexylpiperazin-1-yl)-3-(ethylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(ethylsulfonylamino)benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(ethylsulfonylamino)benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-(ethylsulfonylamino)benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(ethylsulfonylamino)benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(esylamino)benzoic acid Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-2-27(25,26)20-17-14-15(19(23)24)8-9-18(17)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h8-9,14,16,20H,2-7,10-13H2,1H3,(H,23,24)