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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazine Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-thienylsulfonyl)piperazine CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-thiophen-2-ylsulfonylpiperazine IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-thiophen-2-ylsulfonylpiperazine Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-thienylsulfonyl)piperazine Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl)OC1

InChI

InChI=1S/C18H21ClN2O4S2/c19-15-11-14(12-16-18(15)25-9-2-8-24-16)13-20-4-6-21(7-5-20)27(22,23)17-3-1-10-26-17/h1,3,10-12H,2,4-9,13H2