N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide Traditional Name: 3-besyl-N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]propionamide Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C)Br

InChI

InChI=1S/C17H22BrN3O3S/c1-13-17(18)14(2)21(20-13)11-6-10-19-16(22)9-12-25(23,24)15-7-4-3-5-8-15/h3-5,7-8H,6,9-12H2,1-2H3,(H,19,22)