3-(azepan-1-ylsulfonyl)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-4-chloranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]benzamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27ClN4O3S/c1-3-15(2)25-19(10-11-22-25)23-20(26)16-8-9-17(21)18(14-16)29(27,28)24-12-6-4-5-7-13-24/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,23,26)/t15-/m0/s1