2-[phenyl-[4-[(4-piperidin-4-ylphenyl)carbonylamino]phenyl]amino]-2-sulfonyl-ethanoic acid

Systemtic Name: 2-[phenyl-[4-[(4-piperidin-4-ylphenyl)carbonylamino]phenyl]amino]-2-sulfonyl-ethanoic acid Openeye Name: 2-(N-[4-[[4-(4-piperidyl)benzoyl]amino]phenyl]anilino)-2-sulfonyl-acetic acid CAS Name: 2-(N-[4-[[oxo-[4-(4-piperidinyl)phenyl]methyl]amino]phenyl]anilino)-2-sulfonylacetic acid IUPAC Name: 2-(N-[4-[(4-piperidin-4-ylbenzoyl)amino]phenyl]anilino)-2-sulfonylacetic acid Traditional Name: 2-(N-[4-[[4-(4-piperidyl)benzoyl]amino]phenyl]anilino)-2-sulfonyl-acetic acid Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(C4=CC=CC=C4)C(=S(=O)=O)C(=O)O

Isomeric SMILES

C1CNCCC1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(C4=CC=CC=C4)C(=S(=O)=O)C(=O)O

InChI

InChI=1S/C26H25N3O5S/c30-24(20-8-6-18(7-9-20)19-14-16-27-17-15-19)28-21-10-12-23(13-11-21)29(22-4-2-1-3-5-22)25(26(31)32)35(33)34/h1-13,19,27H,14-17H2,(H,28,30)(H,31,32)