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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O3S/c1-18-11-12-20(15-22(18)31(29,30)26-13-7-2-3-8-14-26)25-23(28)19-16-24-27(17-19)21-9-5-4-6-10-21/h4-6,9-12,15-17H,2-3,7-8,13-14H2,1H3,(H,25,28)