3-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorobenzyl)pyrazol-3-yl]benzamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

InChI

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