N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C17H20ClFN4O5S3 MolecularWeight: 511.010903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CS2)C(=O)NCCN)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CS2)C(=O)NCCN)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN4O5S3/c18-13-10-12(3-4-14(13)19)30(25,26)23-8-7-22(11-15(23)17(24)21-6-5-20)31(27,28)16-2-1-9-29-16/h1-4,9-10,15H,5-8,11,20H2,(H,21,24)