N-(4-bromanyl-2-methyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O3S2/c1-12-11-14(18)4-5-15(12)19-17(21)13-6-8-20(9-7-13)25(22,23)16-3-2-10-24-16/h2-5,10-11,13H,6-9H2,1H3,(H,19,21)