3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C24H27ClN4O3S/c25-22-11-8-20(18-23(22)33(31,32)28-15-3-1-2-4-16-28)24(30)26-14-12-19-6-9-21(10-7-19)29-17-5-13-27-29/h5-11,13,17-18H,1-4,12,14-16H2,(H,26,30)