N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(4-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(4-pyridylmethyl)piperazine-2-carboxamide Formula: C19H23ClFN5O3S MolecularWeight: 455.934023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=NC=C2)C(=O)NCCN)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(C(CN1CC2=CC=NC=C2)C(=O)NCCN)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H23ClFN5O3S/c20-16-11-15(1-2-17(16)21)30(28,29)26-10-9-25(12-14-3-6-23-7-4-14)13-18(26)19(27)24-8-5-22/h1-4,6-7,11,18H,5,8-10,12-13,22H2,(H,24,27)