(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]methanone Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C19H21ClN2O5S2/c1-13-3-4-17(28-13)29(24,25)22-7-5-21(6-8-22)19(23)14-11-15(20)18-16(12-14)26-9-2-10-27-18/h3-4,11-12H,2,5-10H2,1H3