(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(2S)-butan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(2S)-butan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[(1S)-1-methylpropyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[(2S)-butan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-[(2S)-butan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[(1S)-1-methylpropyl]nipecotamide Formula: C14H21BrN2O3S2 MolecularWeight: 409.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H21BrN2O3S2/c1-3-10(2)16-14(18)11-5-4-8-17(9-11)22(19,20)13-7-6-12(15)21-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,18)/t10-,11-/m0/s1