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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-23(15-19-17-24-27(18-19)21-10-4-3-5-11-21)25-20-9-8-12-22(16-20)31(29,30)26-13-6-1-2-7-14-26/h3-5,8-12,16-18H,1-2,6-7,13-15H2,(H,25,28)