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

Systemtic Name: 2-[[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-thiophen-2-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[4-[(4-piperazin-1-ylbenzoyl)amino]-N-(2-thienylsulfonyl)anilino]acetic acid CAS Name: 2-[4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]-N-thiophen-2-ylsulfonylanilino]acetic acid IUPAC Name: 2-[4-[(4-piperazin-1-ylbenzoyl)amino]-N-thiophen-2-ylsulfonylanilino]acetic acid Traditional Name: 2-[4-[(4-piperazinobenzoyl)amino]-N-(2-thienylsulfonyl)anilino]acetic acid Formula: C23H24N4O5S2 MolecularWeight: 500.59046

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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(CC(=O)O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H24N4O5S2/c28-21(29)16-27(34(31,32)22-2-1-15-33-22)20-9-5-18(6-10-20)25-23(30)17-3-7-19(8-4-17)26-13-11-24-12-14-26/h1-10,15,24H,11-14,16H2,(H,25,30)(H,28,29)