2-azanyl-5-[2-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-azanyl-5-[2-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-amino-5-[2-(benzyloxymethyl)-4-sulfanyl-pyrrolidin-1-yl]sulfonyl-benzoic acid CAS Name: 2-amino-5-[[4-mercapto-2-(phenylmethoxymethyl)-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 2-amino-5-[2-(phenylmethoxymethyl)-4-sulfanylpyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-amino-5-[2-(benzoxymethyl)-4-mercapto-pyrrolidino]sulfonyl-benzoic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)N)C(=O)O)S

Isomeric SMILES

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C19H22N2O5S2/c20-18-7-6-16(9-17(18)19(22)23)28(24,25)21-10-15(27)8-14(21)12-26-11-13-4-2-1-3-5-13/h1-7,9,14-15,27H,8,10-12,20H2,(H,22,23)