(5-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-3-methyl-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-3-methyl-benzofuran-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C

InChI

InChI=1S/C22H23ClN2O4S/c1-15-4-7-18(8-5-15)30(27,28)25-11-3-10-24(12-13-25)22(26)21-16(2)19-14-17(23)6-9-20(19)29-21/h4-9,14H,3,10-13H2,1-2H3