azepan-1-yl-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone

Systemtic Name: azepan-1-yl-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone Openeye Name: azepan-1-yl-[3-methyl-5-(1-piperidylsulfonyl)benzofuran-2-yl]methanone CAS Name: 1-azepanyl-[3-methyl-5-(1-piperidinylsulfonyl)-2-benzofuranyl]methanone IUPAC Name: azepan-1-yl-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone Traditional Name: azepan-1-yl-(3-methyl-5-piperidinosulfonyl-benzofuran-2-yl)methanone Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H28N2O4S/c1-16-18-15-17(28(25,26)23-13-7-4-8-14-23)9-10-19(18)27-20(16)21(24)22-11-5-2-3-6-12-22/h9-10,15H,2-8,11-14H2,1H3