ethyl 2-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)anilino]methyl]furan-3-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)anilino]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)anilino]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)anilino]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O5S/c1-2-26-20(23)18-11-14-27-19(18)15-21-16-7-9-17(10-8-16)28(24,25)22-12-5-3-4-6-13-22/h7-11,14,21H,2-6,12-13,15H2,1H3