(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2,4,6-trimethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-mesityl-nipecotamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C19H23BrN2O3S2/c1-12-9-13(2)18(14(3)10-12)21-19(23)15-5-4-8-22(11-15)27(24,25)17-7-6-16(20)26-17/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,21,23)/t15-/m0/s1