(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OCC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OCC)OC

InChI

InChI=1S/C22H27ClN2O6S/c1-4-30-17-6-8-18(9-7-17)32(27,28)25-12-10-24(11-13-25)22(26)16-14-19(23)21(31-5-2)20(15-16)29-3/h6-9,14-15H,4-5,10-13H2,1-3H3