N-(4-bromanyl-3-methyl-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]isonipecotamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C)Br

InChI

InChI=1S/C18H23BrN4O3S/c1-11-10-15(4-5-16(11)19)20-18(24)14-6-8-23(9-7-14)27(25,26)17-12(2)21-22-13(17)3/h4-5,10,14H,6-9H2,1-3H3,(H,20,24)(H,21,22)