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

Systemtic Name: 2,3-dihydro-1-benzofuran-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 2,3-dihydrobenzofuran-5-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 2,3-dihydrobenzofuran-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 2,3-dihydro-1-benzofuran-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: coumaran-5-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H24N2O4S/c1-16-3-6-19(7-4-16)28(25,26)23-11-2-10-22(12-13-23)21(24)18-5-8-20-17(15-18)9-14-27-20/h3-8,15H,2,9-14H2,1H3