(6-chloranyl-2H-chromen-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-2H-chromen-3-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (6-chloro-2H-1-benzopyran-3-yl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-2H-chromen-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-(4-tosylpiperazino)methanone Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H21ClN2O4S/c1-15-2-5-19(6-3-15)29(26,27)24-10-8-23(9-11-24)21(25)17-12-16-13-18(22)4-7-20(16)28-14-17/h2-7,12-13H,8-11,14H2,1H3