2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]ethanoic acid Openeye Name: 2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]acetic acid CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]amino]-2-phenylacetic acid IUPAC Name: 2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]acetic acid Traditional Name: 2-phenyl-2-[(4-pyrrolidinosulfonylthiophene-2-carbonyl)amino]acetic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S2/c20-16(18-15(17(21)22)12-6-2-1-3-7-12)14-10-13(11-25-14)26(23,24)19-8-4-5-9-19/h1-3,6-7,10-11,15H,4-5,8-9H2,(H,18,20)(H,21,22)