N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(6-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=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

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