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

Systemtic Name: methyl 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[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=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

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