N-(2-azanylethyl)-1-[3,4-bis(fluoranyl)phenyl]carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[3,4-bis(fluoranyl)phenyl]carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,4-difluorophenyl)-oxomethyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C18H20F2N4O4S2 MolecularWeight: 458.502606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N4O4S2/c19-13-4-3-12(10-14(13)20)18(26)24-8-7-23(11-15(24)17(25)22-6-5-21)30(27,28)16-2-1-9-29-16/h1-4,9-10,15H,5-8,11,21H2,(H,22,25)