4-[4-(2-phenylethanoylamino)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(2-phenylethanoylamino)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[[4-[(2-phenylacetyl)amino]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 4-[[4-[(1-oxo-2-phenylethyl)amino]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[(2-phenylacetyl)amino]piperidino]sulfonylbenzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-19(14-15-4-2-1-3-5-15)21-17-10-12-22(13-11-17)28(26,27)18-8-6-16(7-9-18)20(24)25/h1-9,17H,10-14H2,(H,21,23)(H,24,25)