(4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-5-(1-piperidylsulfonyl)benzofuran-2-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-methyl-5-(1-piperidinylsulfonyl)-2-benzofuranyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidinosulfonyl-benzofuran-2-yl)methanone Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H29N3O4S/c1-3-22-11-13-23(14-12-22)21(25)20-16(2)18-15-17(7-8-19(18)28-20)29(26,27)24-9-5-4-6-10-24/h7-8,15H,3-6,9-14H2,1-2H3/p+1