N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-chloronicotinoyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C17H20ClN5O4S2 MolecularWeight: 457.9548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4S2/c18-15-12(3-1-6-20-15)17(25)23-9-8-22(11-13(23)16(24)21-7-5-19)29(26,27)14-4-2-10-28-14/h1-4,6,10,13H,5,7-9,11,19H2,(H,21,24)