8-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]chromen-2-one

Systemtic Name: 8-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]chromen-2-one Openeye Name: 8-methoxy-3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]chromen-2-one CAS Name: 8-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]chromen-2-one Traditional Name: 8-methoxy-3-(4-tosyl-1,4-diazepane-1-carbonyl)coumarin Formula: C23H24N2O6S MolecularWeight: 456.51146

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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(=CC=C4)OC)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

InChI

InChI=1S/C23H24N2O6S/c1-16-7-9-18(10-8-16)32(28,29)25-12-4-11-24(13-14-25)22(26)19-15-17-5-3-6-20(30-2)21(17)31-23(19)27/h3,5-10,15H,4,11-14H2,1-2H3