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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O5S/c1-16-7-9-17(10-8-16)29(25,26)23-12-4-11-22(13-14-23)21(24)20-15-27-18-5-2-3-6-19(18)28-20/h2-3,5-10,20H,4,11-15H2,1H3