N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-4-(4-fluorophenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-4-(4-fluorophenyl)sulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(6-chloronicotinoyl)-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide Formula: C19H21ClFN5O4S MolecularWeight: 469.917543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN5O4S/c20-17-6-1-13(11-24-17)19(28)26-10-9-25(12-16(26)18(27)23-8-7-22)31(29,30)15-4-2-14(21)3-5-15/h1-6,11,16H,7-10,12,22H2,(H,23,27)