N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c26-20(17-9-6-10-18(15-17)30(27,28)25-13-4-5-14-25)22-21-24-23-19(29-21)12-11-16-7-2-1-3-8-16/h1-3,6-10,15H,4-5,11-14H2,(H,22,24,26)