5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-carboxylate CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(azepan-1-ylsulfonyl)-3-methyl-coumarilate Formula: C16H18NO5S- MolecularWeight: 336.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)[O-]

InChI

InChI=1S/C16H19NO5S/c1-11-13-10-12(6-7-14(13)22-15(11)16(18)19)23(20,21)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)/p-1