ethyl 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C(C)(C)C

InChI

InChI=1S/C21H29N3O4S2/c1-5-28-19(25)16-6-8-18(9-7-16)30(26,27)24-12-10-23(11-13-24)14-17-15-29-20(22-17)21(2,3)4/h6-9,15H,5,10-14H2,1-4H3