2-[(4-piperidin-1-ylsulfonyl-2-sulfanyl-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-piperidin-1-ylsulfonyl-2-sulfanyl-phenyl)amino]ethanoic acid Openeye Name: 2-[4-(1-piperidylsulfonyl)-2-sulfanyl-anilino]acetic acid CAS Name: 2-[2-mercapto-4-(1-piperidinylsulfonyl)anilino]acetic acid IUPAC Name: 2-(4-piperidin-1-ylsulfonyl-2-sulfanylanilino)acetic acid Traditional Name: 2-(2-mercapto-4-piperidinosulfonyl-anilino)acetic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(=O)O)S

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(=O)O)S

InChI

InChI=1S/C13H18N2O4S2/c16-13(17)9-14-11-5-4-10(8-12(11)20)21(18,19)15-6-2-1-3-7-15/h4-5,8,14,20H,1-3,6-7,9H2,(H,16,17)