N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]furan-2-carboxamide Openeye Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]furan-2-carboxamide CAS Name: N-[2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]furan-2-carboxamide Traditional Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-furamide 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)NCCNC(=O)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCNC(=O)C3=CC=CO3

InChI

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