2-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyrrolidinosulfonyl-benzamide Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S2/c1-2-28-13-5-8-17-18(11-13)29-20(22-17)23-19(25)15-12-14(6-7-16(15)21)30(26,27)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23,25)