N-[5-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[5-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[5-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[5-[[3-(1-azepanylsulfonyl)anilino]-oxomethyl]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[5-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[5-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-2-methyl-phenyl]-2-furamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O5S/c1-18-11-12-19(16-22(18)27-25(30)23-10-7-15-33-23)24(29)26-20-8-6-9-21(17-20)34(31,32)28-13-4-2-3-5-14-28/h6-12,15-17H,2-5,13-14H2,1H3,(H,26,29)(H,27,30)