N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-phenylpyrazol-4-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-phenylpyrazol-4-yl)acetamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O3S/c1-19-11-12-21(16-23(19)32(30,31)27-13-7-2-3-8-14-27)26-24(29)15-20-17-25-28(18-20)22-9-5-4-6-10-22/h4-6,9-12,16-18H,2-3,7-8,13-15H2,1H3,(H,26,29)