3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenylsulfanyl-5-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenylsulfanyl-5-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-phenylsulfanyl-5-pyrrolidin-1-yl-benzoic acid CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(phenylthio)-5-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenylsulfanyl-5-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(phenylthio)-5-pyrrolidino-benzoic acid Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1SC2=CC=CC=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1SC2=CC=CC=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C20H23N3O4S2/c1-22(2)14-21-29(26,27)18-13-15(20(24)25)12-17(23-10-6-7-11-23)19(18)28-16-8-4-3-5-9-16/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,24,25)/b21-14+