(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C16H21BrN4O3S3 MolecularWeight: 493.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H21BrN4O3S3/c1-2-3-6-13-19-20-16(26-13)18-15(22)11-5-4-9-21(10-11)27(23,24)14-8-7-12(17)25-14/h7-8,11H,2-6,9-10H2,1H3,(H,18,20,22)/t11-/m0/s1