2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(ethylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(ethylsulfonylamino)benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(ethylsulfonylamino)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-(ethylsulfonylamino)benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(ethylsulfonylamino)benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(esylamino)benzoic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)O

InChI

InChI=1S/C21H25N3O5S/c1-3-30(28,29)22-17-6-9-20(19(14-17)21(26)27)24-12-10-23(11-13-24)18-7-4-16(5-8-18)15(2)25/h4-9,14,22H,3,10-13H2,1-2H3,(H,26,27)