N-(4-bromanyl-3-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-mesyl-nipecotamide Formula: C14H19BrN2O3S MolecularWeight: 375.28126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O3S/c1-10-8-12(5-6-13(10)15)16-14(18)11-4-3-7-17(9-11)21(2,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)