4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]methyl]piperazin-2-one

Systemtic Name: 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]methyl]piperazin-2-one Openeye Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]piperazin-2-one CAS Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[4-[imino(1-pyrrolidinyl)methyl]phenyl]methyl]-2-piperazinone IUPAC Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]piperazin-2-one Traditional Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[4-(pyrrolidine-1-carboximidoyl)benzyl]piperazin-2-one Formula: C24H25ClN4O3S2 MolecularWeight: 517.0633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3S2/c25-20-8-7-19-13-23(33-21(19)14-20)34(31,32)29-12-11-28(22(30)16-29)15-17-3-5-18(6-4-17)24(26)27-9-1-2-10-27/h3-8,13-14,26H,1-2,9-12,15-16H2