(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-ethyl-3-morpholinosulfonyl-phenyl)-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-[4-[(2-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-ethyl-3-morpholinosulfonyl-phenyl)-[4-(2-methylbenzyl)piperazino]methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H33N3O4S/c1-3-21-8-9-22(18-24(21)33(30,31)28-14-16-32-17-15-28)25(29)27-12-10-26(11-13-27)19-23-7-5-4-6-20(23)2/h4-9,18H,3,10-17,19H2,1-2H3