N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O4S2/c23-18(19-9-6-14-27-19)10-11-20(24)21-16-7-5-8-17(15-16)28(25,26)22-12-3-1-2-4-13-22/h5-9,14-15H,1-4,10-13H2,(H,21,24)