3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-pyrazol-4-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-pyrazol-4-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-pyrazol-4-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1H-pyrazol-4-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-pyrazol-4-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-pyrazol-4-yl)propionamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CNN=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CNN=C3

InChI

InChI=1S/C18H24N4O3S/c23-18(21-16-13-19-20-14-16)10-7-15-5-8-17(9-6-15)26(24,25)22-11-3-1-2-4-12-22/h5-6,8-9,13-14H,1-4,7,10-12H2,(H,19,20)(H,21,23)