(3S)-N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(4-bromo-1-ethyl-3-pyrazolyl)methyl]-1-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-nipecotamide Formula: C18H27BrN6O3S MolecularWeight: 487.41438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=NN(C=C3Br)CC

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=NN(C=C3Br)CC

InChI

InChI=1S/C18H27BrN6O3S/c1-4-23-11-15(19)16(22-23)9-20-18(26)14-7-6-8-25(10-14)29(27,28)17-12-24(5-2)21-13(17)3/h11-12,14H,4-10H2,1-3H3,(H,20,26)/t14-/m0/s1