N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C20H21N3O5S2/c1-27-14-11-16(28-2)18-17(12-14)29-20(21-18)22-19(24)13-5-7-15(8-6-13)30(25,26)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22,24)