3-[4-(azepan-1-ylsulfonyl)phenyl]-N-pyrimidin-2-yl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-pyrimidin-2-yl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-pyrimidin-2-yl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-pyrimidinyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-pyrimidin-2-ylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrimidyl)propionamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H24N4O3S/c24-18(22-19-20-12-5-13-21-19)11-8-16-6-9-17(10-7-16)27(25,26)23-14-3-1-2-4-15-23/h5-7,9-10,12-13H,1-4,8,11,14-15H2,(H,20,21,22,24)