(3S)-N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1-thiophen-2-ylsulfonyl-piperidine-3-carbohydrazide

Systemtic Name: (3S)-N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1-thiophen-2-ylsulfonyl-piperidine-3-carbohydrazide Openeye Name: (3S)-N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1-(2-thienylsulfonyl)piperidine-3-carbohydrazide CAS Name: (3S)-N'-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarbohydrazide IUPAC Name: (3S)-N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide Traditional Name: (3S)-N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1-(2-thienylsulfonyl)nipecotohydrazide Formula: C16H19BrN4O4S2 MolecularWeight: 475.38046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)Br

InChI

InChI=1S/C16H19BrN4O4S2/c1-20-10-12(17)8-13(20)16(23)19-18-15(22)11-4-2-6-21(9-11)27(24,25)14-5-3-7-26-14/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,18,22)(H,19,23)/t11-/m0/s1