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

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]propan-2-yl 4-methylbenzoate Openeye Name: [2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-1-methyl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]-1-methyl-ethyl] ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)CN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C)CN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N3O4S/c1-16-7-9-18(10-8-16)22(26)29-17(2)15-24-11-13-25(14-12-24)21-19-5-3-4-6-20(19)30(27,28)23-21/h3-10,17H,11-15H2,1-2H3