(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]methanone CAS Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]methanone Formula: C21H27ClN2O5S2 MolecularWeight: 487.03248

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)OCC

InChI

InChI=1S/C21H27ClN2O5S2/c1-4-12-29-20-17(22)13-16(14-18(20)28-5-2)21(25)23-8-10-24(11-9-23)31(26,27)19-7-6-15(3)30-19/h6-7,13-14H,4-5,8-12H2,1-3H3