4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzamide Formula: C26H32N4O3S MolecularWeight: 480.62228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-20-25(21(2)30(27-20)23-11-7-6-8-12-23)19-28(3)26(31)22-13-15-24(16-14-22)34(32,33)29-17-9-4-5-10-18-29/h6-8,11-16H,4-5,9-10,17-19H2,1-3H3