4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethylamino]chromen-2-one

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethylamino]chromen-2-one Openeye Name: 4-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethylamino]chromen-2-one CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethylamino]chromen-2-one Traditional Name: 4-[2-(4-tosylpiperazino)ethylamino]coumarin Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O4S/c1-17-6-8-18(9-7-17)30(27,28)25-14-12-24(13-15-25)11-10-23-20-16-22(26)29-21-5-3-2-4-19(20)21/h2-9,16,23H,10-15H2,1H3