2-[[4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[1-(2-thienylsulfonyl)nipecotoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C18H21N3O7S3 MolecularWeight: 487.57024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C18H21N3O7S3/c22-16(23)11-19-30(25,26)15-7-5-14(6-8-15)20-18(24)13-3-1-9-21(12-13)31(27,28)17-4-2-10-29-17/h2,4-8,10,13,19H,1,3,9,11-12H2,(H,20,24)(H,22,23)