N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O3S2/c1-15-5-6-16(2)19(13-15)20-14-29-22(23-20)24-21(26)17-7-9-18(10-8-17)30(27,28)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24,26)