N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propanamide Openeye Name: 3-(4-acetyl-5-methyl-2-furyl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-N-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Traditional Name: 3-(4-acetyl-5-methyl-2-furyl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-16(25)21-15-19(29-17(21)2)9-12-22(26)23-18-7-10-20(11-8-18)30(27,28)24-13-5-3-4-6-14-24/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3,(H,23,26)