3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(3-pyridylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(3-pyridinylsulfonylamino)-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(3-pyridylsulfonylamino)-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)propionamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CCNS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CCNS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C19H21N5O3S2/c25-18(7-9-21-29(26,27)15-4-3-8-20-13-15)22-14-5-6-16-17(12-14)28-19(23-16)24-10-1-2-11-24/h3-6,8,12-13,21H,1-2,7,9-11H2,(H,22,25)