3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-[(phenylmethyl)amino]-4-thiophen-2-yl-benzoic acid

Systemtic Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-[(phenylmethyl)amino]-4-thiophen-2-yl-benzoic acid Openeye Name: 3-(benzylamino)-5-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(2-thienyl)benzoic acid CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-[(phenylmethyl)amino]-4-thiophen-2-ylbenzoic acid IUPAC Name: 3-(benzylamino)-5-[(E)-dimethylaminomethylideneamino]sulfonyl-4-thiophen-2-ylbenzoic acid Traditional Name: 3-(benzylamino)-5-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(2-thienyl)benzoic acid Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1C2=CC=CS2)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1C2=CC=CS2)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4S2/c1-24(2)14-23-30(27,28)19-12-16(21(25)26)11-17(20(19)18-9-6-10-29-18)22-13-15-7-4-3-5-8-15/h3-12,14,22H,13H2,1-2H3,(H,25,26)/b23-14+