(2S)-2-(phenylsulfonylamino)-3-[(4-piperazin-1-ylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-(phenylsulfonylamino)-3-[(4-piperazin-1-ylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-[(4-piperazin-1-ylbenzoyl)amino]propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-[(4-piperazin-1-ylbenzoyl)amino]propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-[(4-piperazinobenzoyl)amino]propionic acid Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O5S/c25-19(15-6-8-16(9-7-15)24-12-10-21-11-13-24)22-14-18(20(26)27)23-30(28,29)17-4-2-1-3-5-17/h1-9,18,21,23H,10-14H2,(H,22,25)(H,26,27)/t18-/m0/s1