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

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]propan-2-yl benzoate Openeye Name: [2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-1-methyl-ethyl] benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid [2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]-1-methyl-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-16(28-21(25)17-7-3-2-4-8-17)15-23-11-13-24(14-12-23)20-18-9-5-6-10-19(18)29(26,27)22-20/h2-10,16H,11-15H2,1H3