N-(6-ethyl-1,3-benzothiazol-2-yl)-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O

InChI

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