N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O3S/c1-18-22(23(25)29(27-18)17-19-10-5-4-6-11-19)24(30)26-20-12-9-13-21(16-20)33(31,32)28-14-7-2-3-8-15-28/h4-6,9-13,16H,2-3,7-8,14-15,17H2,1H3,(H,26,30)