4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[(4-pyrrolidin-1-ylcarbonyl-1,3-thiazol-2-yl)methyl]piperazin-2-one

Systemtic Name: 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[(4-pyrrolidin-1-ylcarbonyl-1,3-thiazol-2-yl)methyl]piperazin-2-one Openeye Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[4-(pyrrolidine-1-carbonyl)thiazol-2-yl]methyl]piperazin-2-one CAS Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[4-[oxo(1-pyrrolidinyl)methyl]-2-thiazolyl]methyl]-2-piperazinone IUPAC Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]piperazin-2-one Traditional Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[4-(pyrrolidine-1-carbonyl)thiazol-2-yl]methyl]piperazin-2-one Formula: C21H21ClN4O4S3 MolecularWeight: 525.06384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CSC(=N2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CSC(=N2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C21H21ClN4O4S3/c22-15-4-3-14-9-20(32-17(14)10-15)33(29,30)26-8-7-25(19(27)12-26)11-18-23-16(13-31-18)21(28)24-5-1-2-6-24/h3-4,9-10,13H,1-2,5-8,11-12H2