5-(azepan-1-ylsulfonyl)-N-butyl-N,3-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-butyl-N,3-dimethyl-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-butyl-N,3-dimethyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-butyl-N,3-dimethyl-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-butyl-N,3-dimethyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-butyl-N,3-dimethyl-coumarilamide Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCCCN(C)C(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H30N2O4S/c1-4-5-12-22(3)21(24)20-16(2)18-15-17(10-11-19(18)27-20)28(25,26)23-13-8-6-7-9-14-23/h10-11,15H,4-9,12-14H2,1-3H3