1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)Cl)COCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)Cl)COCO4)C

InChI

InChI=1S/C21H25ClN2O4S/c1-15-3-4-20(16(2)9-15)29(25,26)24-7-5-23(6-8-24)12-17-10-19(22)11-18-13-27-14-28-21(17)18/h3-4,9-11H,5-8,12-14H2,1-2H3