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

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]propan-2-yl 4-methoxybenzoate Openeye Name: [2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-1-methyl-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]-1-methyl-ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-16(30-22(26)17-7-9-18(29-2)10-8-17)15-24-11-13-25(14-12-24)21-19-5-3-4-6-20(19)31(27,28)23-21/h3-10,16H,11-15H2,1-2H3