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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-pyrazole-4-carboxamide 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)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

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