2-[phenyl-[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]amino]-2-sulfonyl-ethanoic acid

Systemtic Name: 2-[phenyl-[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]amino]-2-sulfonyl-ethanoic acid Openeye Name: 2-(N-[4-[(4-piperazin-1-ylbenzoyl)amino]phenyl]anilino)-2-sulfonyl-acetic acid CAS Name: 2-(N-[4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]phenyl]anilino)-2-sulfonylacetic acid IUPAC Name: 2-(N-[4-[(4-piperazin-1-ylbenzoyl)amino]phenyl]anilino)-2-sulfonylacetic acid Traditional Name: 2-(N-[4-[(4-piperazinobenzoyl)amino]phenyl]anilino)-2-sulfonyl-acetic acid Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=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

C1CN(CCN1)C2=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/C25H24N4O5S/c30-23(18-6-10-20(11-7-18)28-16-14-26-15-17-28)27-19-8-12-22(13-9-19)29(21-4-2-1-3-5-21)24(25(31)32)35(33)34/h1-13,26H,14-17H2,(H,27,30)(H,31,32)