2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 3-oxobenzo[f]chromene-2-carboxylate CAS Name: 3-oxo-2-benzo[f][1]benzopyrancarboxylic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3-oxobenzo[f]chromene-2-carboxylate Traditional Name: 3-ketobenzo[f]chromene-2-carboxylic acid 2-(4-tosylpiperazino)ethyl ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

InChI

InChI=1S/C27H26N2O6S/c1-19-6-9-21(10-7-19)36(32,33)29-14-12-28(13-15-29)16-17-34-26(30)24-18-23-22-5-3-2-4-20(22)8-11-25(23)35-27(24)31/h2-11,18H,12-17H2,1H3