methyl 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H23N3O4S2/c1-15(20-22-18-8-3-4-9-19(18)29-20)23-10-12-24(13-11-23)30(26,27)17-7-5-6-16(14-17)21(25)28-2/h3-9,14-15H,10-13H2,1-2H3