2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN2O4S/c18-16-7-6-14(12-15(16)17(21)22)25(23,24)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,22)