N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylpyrazol-1-yl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O3S/c1-18-13-14-24-27(18)21-11-9-19(10-12-21)23(28)25-20-7-6-8-22(17-20)31(29,30)26-15-4-2-3-5-16-26/h6-14,17H,2-5,15-16H2,1H3,(H,25,28)