2-[[4-(4-cyano-4-phenyl-piperidin-1-yl)sulfonylphenyl]carbonylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[[4-(4-cyano-4-phenyl-piperidin-1-yl)sulfonylphenyl]carbonylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[4-[(4-cyano-4-phenyl-1-piperidyl)sulfonyl]benzoyl]amino]-5-iodo-benzoic acid CAS Name: 2-[[[4-[(4-cyano-4-phenyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[4-(4-cyano-4-phenylpiperidin-1-yl)sulfonylbenzoyl]amino]-5-iodobenzoic acid Traditional Name: 2-[[4-(4-cyano-4-phenyl-piperidino)sulfonylbenzoyl]amino]-5-iodo-benzoic acid Formula: C26H22IN3O5S MolecularWeight: 615.43945

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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)NC4=C(C=C(C=C4)I)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)I)C(=O)O

InChI

InChI=1S/C26H22IN3O5S/c27-20-8-11-23(22(16-20)25(32)33)29-24(31)18-6-9-21(10-7-18)36(34,35)30-14-12-26(17-28,13-15-30)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,29,31)(H,32,33)