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

Systemtic Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S3/c1-27-16-8-5-13(11-18(16)30(25,26)23-9-3-4-10-23)19(24)21-14-6-7-15-17(12-14)29-20(22-15)28-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,24)