N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-2-27-15-8-9-17-18(13-15)28-20(21-17)22-19(24)14-6-5-7-16(12-14)29(25,26)23-10-3-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,22,24)