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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-pyridin-4-yl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-pyridin-4-ylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-pyridin-4-ylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridyl)propionamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c24-20(22-18-11-13-21-14-12-18)10-7-17-5-8-19(9-6-17)27(25,26)23-15-3-1-2-4-16-23/h5-6,8-9,11-14H,1-4,7,10,15-16H2,(H,21,22,24)