3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-oxolanylmethyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(tetrahydrofurfuryl)propionamide Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3CCCO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3CCCO3

InChI

InChI=1S/C20H30N2O4S/c23-20(21-16-18-6-5-15-26-18)12-9-17-7-10-19(11-8-17)27(24,25)22-13-3-1-2-4-14-22/h7-8,10-11,18H,1-6,9,12-16H2,(H,21,23)