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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=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)NC(=O)C3=CC=C(C=C3)N(C4=CC=CC=C4)C(=S(=O)=O)C(=O)O

InChI

InChI=1S/C25H24N4O5S/c30-23(27-19-8-12-20(13-9-19)28-16-14-26-15-17-28)18-6-10-22(11-7-18)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)