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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-pyrazol-1-yl-benzamide 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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

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