N-[2-(5-bromanylthiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(5-bromo-2-thienyl)ethyl]-1-mesitylsulfonyl-isonipecotamide Formula: C21H27BrN2O3S2 MolecularWeight: 499.48468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(S3)Br)C

InChI

InChI=1S/C21H27BrN2O3S2/c1-14-12-15(2)20(16(3)13-14)29(26,27)24-10-7-17(8-11-24)21(25)23-9-6-18-4-5-19(22)28-18/h4-5,12-13,17H,6-11H2,1-3H3,(H,23,25)