(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN2O5S/c21-17-12-16(13-18-19(17)28-11-10-27-18)20(24)22-6-8-23(9-7-22)29(25,26)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2