1,3-benzodioxol-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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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)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-15-3-6-17(7-4-15)28(24,25)22-10-2-9-21(11-12-22)20(23)16-5-8-18-19(13-16)27-14-26-18/h3-8,13H,2,9-12,14H2,1H3