[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [5-(1-azepanylsulfonyl)-3-methyl-2-benzofuranyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(4-methylpiperidino)methanone Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H30N2O4S/c1-16-9-13-23(14-10-16)22(25)21-17(2)19-15-18(7-8-20(19)28-21)29(26,27)24-11-5-3-4-6-12-24/h7-8,15-16H,3-6,9-14H2,1-2H3