2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]chromen-4-one

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]chromen-4-one Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]chromen-4-one CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]chromen-4-one Traditional Name: 2-(4-tosyl-1,4-diazepane-1-carbonyl)chromone Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O5S/c1-16-7-9-17(10-8-16)30(27,28)24-12-4-11-23(13-14-24)22(26)21-15-19(25)18-5-2-3-6-20(18)29-21/h2-3,5-10,15H,4,11-14H2,1H3