1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[(4-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(4-methylbenzyl)nipecotamide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O3S2/c1-13-4-6-14(7-5-13)11-20-18(22)15-3-2-10-21(12-15)26(23,24)17-9-8-16(19)25-17/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)