3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c23-19-9-8-17(15-21(19)31(29,30)27-12-3-1-2-4-13-27)22(28)25-18-7-5-6-16(14-18)20-10-11-24-26-20/h5-11,14-15H,1-4,12-13H2,(H,24,26)(H,25,28)