2-[(4-piperidin-1-ylsulfonyl-2-sulfanidyl-phenyl)amino]ethanoate

Systemtic Name: 2-[(4-piperidin-1-ylsulfonyl-2-sulfanidyl-phenyl)amino]ethanoate Openeye Name: 2-[4-(1-piperidylsulfonyl)-2-sulfido-anilino]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)-2-sulfidoanilino]acetate IUPAC Name: 2-(4-piperidin-1-ylsulfonyl-2-sulfidoanilino)acetate Traditional Name: 2-(4-piperidinosulfonyl-2-sulfido-anilino)acetate Formula: C13H16N2O4S2-2 MolecularWeight: 328.40714

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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)/p-2