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

Systemtic Name: 3-(butanoylamino)-5-[(E)-dimethylaminomethylideneamino]sulfonyl-4-thiophen-2-yl-benzoic acid Openeye Name: 3-(butanoylamino)-5-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(2-thienyl)benzoic acid CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-(1-oxobutylamino)-4-thiophen-2-ylbenzoic acid IUPAC Name: 3-(butanoylamino)-5-[(E)-dimethylaminomethylideneamino]sulfonyl-4-thiophen-2-ylbenzoic acid Traditional Name: 3-butyramido-5-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(2-thienyl)benzoic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N=CN(C)C)C2=CC=CS2

Isomeric SMILES

CCCC(=O)NC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)/N=C/N(C)C)C2=CC=CS2

InChI

InChI=1S/C18H21N3O5S2/c1-4-6-16(22)20-13-9-12(18(23)24)10-15(17(13)14-7-5-8-27-14)28(25,26)19-11-21(2)3/h5,7-11H,4,6H2,1-3H3,(H,20,22)(H,23,24)/b19-11+