3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholinoethyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(4-morpholinyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholinoethyl)propionamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCN3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCN3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c25-21(22-11-14-23-15-17-28-18-16-23)10-7-19-5-8-20(9-6-19)29(26,27)24-12-3-1-2-4-13-24/h5-6,8-9H,1-4,7,10-18H2,(H,22,25)