(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H21N3O5S3/c1-15(25)23-7-9-24(10-8-23)32(27,28)19-4-2-16(3-5-19)21(26)29-12-18-14-31-20(22-18)17-6-11-30-13-17/h2-6,11,13-14H,7-10,12H2,1H3