2-[phenylsulfonyl-[5-[(4-piperazin-1-ylphenyl)carbamoyl]thiophen-2-yl]amino]ethanoic acid

Systemtic Name: 2-[phenylsulfonyl-[5-[(4-piperazin-1-ylphenyl)carbamoyl]thiophen-2-yl]amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-[5-[(4-piperazin-1-ylphenyl)carbamoyl]-2-thienyl]amino]acetic acid CAS Name: 2-[benzenesulfonyl-[5-[oxo-[4-(1-piperazinyl)anilino]methyl]-2-thiophenyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-[5-[(4-piperazin-1-ylphenyl)carbamoyl]thiophen-2-yl]amino]acetic acid Traditional Name: 2-[besyl-[5-[(4-piperazinophenyl)carbamoyl]-2-thienyl]amino]acetic acid Formula: C23H24N4O5S2 MolecularWeight: 500.59046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)N(CC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)N(CC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

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