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

Systemtic Name: 2-[methylsulfonyl-[4-[(4-piperazin-1-ylphenyl)carbamoyl]phenyl]amino]ethanoic acid Openeye Name: 2-[N-methylsulfonyl-4-[(4-piperazin-1-ylphenyl)carbamoyl]anilino]acetic acid CAS Name: 2-[N-methylsulfonyl-4-[oxo-[4-(1-piperazinyl)anilino]methyl]anilino]acetic acid IUPAC Name: 2-[N-methylsulfonyl-4-[(4-piperazin-1-ylphenyl)carbamoyl]anilino]acetic acid Traditional Name: 2-[N-mesyl-4-[(4-piperazinophenyl)carbamoyl]anilino]acetic acid Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C20H24N4O5S/c1-30(28,29)24(14-19(25)26)18-6-2-15(3-7-18)20(27)22-16-4-8-17(9-5-16)23-12-10-21-11-13-23/h2-9,21H,10-14H2,1H3,(H,22,27)(H,25,26)