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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O3S/c1-14-7-8-16(20-18(23)15-12-19-21(2)13-15)11-17(14)26(24,25)22-9-5-3-4-6-10-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,23)