N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]phenyl]-2-furamide Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O6S/c1-33-22-12-11-20(35(31,32)28-13-4-2-3-5-14-28)17-21(22)24(29)26-18-8-6-9-19(16-18)27-25(30)23-10-7-15-34-23/h6-12,15-17H,2-5,13-14H2,1H3,(H,26,29)(H,27,30)