3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-furylmethylamino)-2-oxo-ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(2-furanylmethylamino)-2-oxoethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-furfurylamino)-2-keto-ethyl]propionamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H29N3O5S/c26-21(24-17-22(27)23-16-19-6-5-15-30-19)12-9-18-7-10-20(11-8-18)31(28,29)25-13-3-1-2-4-14-25/h5-8,10-11,15H,1-4,9,12-14,16-17H2,(H,23,27)(H,24,26)