N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[1-[3-(1-azepanylsulfonyl)-4-methylanilino]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl]-2-furamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-15-9-10-17(14-19(15)30(27,28)24-11-5-3-4-6-12-24)23-20(25)16(2)22-21(26)18-8-7-13-29-18/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,22,26)(H,23,25)