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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propionamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H34N4O3S/c1-21-26(22(2)31(29-21)24-10-6-5-7-11-24)20-28-27(32)17-14-23-12-15-25(16-13-23)35(33,34)30-18-8-3-4-9-19-30/h5-7,10-13,15-16H,3-4,8-9,14,17-20H2,1-2H3,(H,28,32)