(3-chloranyl-1-benzothiophen-2-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O5S2/c1-15(26)24-9-11-25(12-10-24)32(28,29)17-6-4-5-16(13-17)22(27)30-14-20-21(23)18-7-2-3-8-19(18)31-20/h2-8,13H,9-12,14H2,1H3