(3-methyl-1-benzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(3-methylbenzofuran-2-yl)methanone Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O4S/c1-17-20-6-3-4-7-21(20)29-22(17)23(26)25-13-5-12-24(14-15-25)16-18-8-10-19(11-9-18)30(2,27)28/h3-4,6-11H,5,12-16H2,1-2H3