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

Systemtic Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H26N2O5S/c1-16-8-10-18(11-9-16)30(26,27)24-13-5-12-23(14-15-24)22(25)21-17(2)28-19-6-3-4-7-20(19)29-21/h3-4,6-11,17,21H,5,12-15H2,1-2H3