4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H30N4O3S/c1-17-16-18(2)25(23-17)15-7-12-22-21(26)19-8-10-20(11-9-19)29(27,28)24-13-5-3-4-6-14-24/h8-11,16H,3-7,12-15H2,1-2H3,(H,22,26)