[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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