1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-tosyl-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=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

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