(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone

Systemtic Name: (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone Openeye Name: (3-methyl-5-morpholinosulfonyl-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone CAS Name: [3-methyl-5-(4-morpholinylsulfonyl)-2-benzofuranyl]-(4-propyl-1-piperazinyl)methanone IUPAC Name: (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone Traditional Name: (3-methyl-5-morpholinosulfonyl-benzofuran-2-yl)-(4-propylpiperazino)methanone Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H29N3O5S/c1-3-6-22-7-9-23(10-8-22)21(25)20-16(2)18-15-17(4-5-19(18)29-20)30(26,27)24-11-13-28-14-12-24/h4-5,15H,3,6-14H2,1-2H3