1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]propan-2-yl 4-bromanylbenzoate

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]propan-2-yl 4-bromanylbenzoate Openeye Name: [2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-1-methyl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinyl]propan-2-yl ester IUPAC Name: 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]propan-2-yl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]-1-methyl-ethyl] ester Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(CN1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-15(29-21(26)16-6-8-17(22)9-7-16)14-24-10-12-25(13-11-24)20-18-4-2-3-5-19(18)30(27,28)23-20/h2-9,15H,10-14H2,1H3