N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)N4CCCC4

InChI

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