3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C26H32N4O3S MolecularWeight: 480.62228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-28(20-23-19-27-30(21-23)24-9-5-4-6-10-24)26(31)16-13-22-11-14-25(15-12-22)34(32,33)29-17-7-2-3-8-18-29/h4-6,9-12,14-15,19,21H,2-3,7-8,13,16-18,20H2,1H3