4-(4-cyano-4-phenyl-piperidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(4-cyano-4-phenyl-piperidin-1-yl)sulfonylbenzoic acid Openeye Name: 4-[(4-cyano-4-phenyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-[(4-cyano-4-phenyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-(4-cyano-4-phenylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(4-cyano-4-phenyl-piperidino)sulfonylbenzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O4S/c20-14-19(16-4-2-1-3-5-16)10-12-21(13-11-19)26(24,25)17-8-6-15(7-9-17)18(22)23/h1-9H,10-13H2,(H,22,23)