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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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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)CN4C=CC=N4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c24-21-10-9-19(16-22(21)32(30,31)28-13-3-1-2-4-14-28)23(29)26-20-8-5-7-18(15-20)17-27-12-6-11-25-27/h5-12,15-16H,1-4,13-14,17H2,(H,26,29)