2-(4-chlorophenyl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]propan-1-one Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O5S2/c1-16(31-18-5-3-17(23)4-6-18)22(26)24-9-11-25(12-10-24)32(27,28)19-7-8-20-21(15-19)30-14-2-13-29-20/h3-8,15-16H,2,9-14H2,1H3