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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c27-22(18-16-23-26(17-18)20-10-4-3-5-11-20)24-19-9-8-12-21(15-19)30(28,29)25-13-6-1-2-7-14-25/h3-5,8-12,15-17H,1-2,6-7,13-14H2,(H,24,27)