N-[4-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N4O3S/c27-22(18-6-10-20(11-7-18)26-17-5-14-23-26)24-19-8-12-21(13-9-19)30(28,29)25-15-3-1-2-4-16-25/h5-14,17H,1-4,15-16H2,(H,24,27)