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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

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